4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C270H172N12 — CID 159219083

IUPAC4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)cc21.[2H]C([2H])([2H])C1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)cc21.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)c3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)cc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)c2)cc1
InChIInChI=1S/2C48H30N2.2C45H30N2.2C42H26N2/c1-2-10-31(11-3-1)32-20-22-33(23-21-32)34-12-8-13-37(28-34)49-44-18-6-5-15-39(44)43-29-35(25-27-46(43)49)36-24-26-40-42-17-9-16-41-38-14-4-7-19-45(38)50(48(41)42)47(40)30-36;1-2-9-31(10-3-1)32-17-19-33(20-18-32)34-21-25-37(26-22-34)49-44-15-6-5-12-39(44)43-29-35(24-28-46(43)49)36-23-27-40-42-14-8-13-41-38-11-4-7-16-45(38)50(48(41)42)47(40)30-36;2*1-45(2)38-15-6-3-10-30(38)31-22-20-29(26-39(31)45)46-40-16-7-5-12-33(40)37-24-27(19-23-42(37)46)28-18-21-34-36-14-9-13-35-32-11-4-8-17-41(32)47(44(35)36)43(34)25-28;1-2-10-27(11-3-1)28-12-8-13-31(24-28)43-38-18-6-5-15-33(38)37-25-29(21-23-40(37)43)30-20-22-34-36-17-9-16-35-32-14-4-7-19-39(32)44(42(35)36)41(34)26-30;1-2-9-27(10-3-1)28-17-21-31(22-18-28)43-38-15-6-4-11-32(38)34-23-19-29(25-40(34)43)30-20-24-35-37-14-8-13-36-33-12-5-7-16-39(33)44(42(36)37)41(35)26-30/h2*1-30H;2*3-26H,1-2H3;2*1-26H/i;;1D3;;;
InChIKeyKRLJIYOVOFIZAX-IDGSXTKZSA-N
MW3587.45 g/mol
LogP72.22
Rot. Bonds19

About 4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 159219083) has the molecular formula C270H172N12 and a molecular weight of 3587.45 g/mol. Its IUPAC name is 4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID159219083
Molecular FormulaC270H172N12
Molecular Weight3587.45 g/mol
Exact Mass3584.40
IUPAC Name4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)cc21.[2H]C([2H])([2H])C1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)cc21.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)c3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)cc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)c2)cc1
InChIInChI=1S/2C48H30N2.2C45H30N2.2C42H26N2/c1-2-10-31(11-3-1)32-20-22-33(23-21-32)34-12-8-13-37(28-34)49-44-18-6-5-15-39(44)43-29-35(25-27-46(43)49)36-24-26-40-42-17-9-16-41-38-14-4-7-19-45(38)50(48(41)42)47(40)30-36;1-2-9-31(10-3-1)32-17-19-33(20-18-32)34-21-25-37(26-22-34)49-44-15-6-5-12-39(44)43-29-35(24-28-46(43)49)36-23-27-40-42-14-8-13-41-38-11-4-7-16-45(38)50(48(41)42)47(40)30-36;2*1-45(2)38-15-6-3-10-30(38)31-22-20-29(26-39(31)45)46-40-16-7-5-12-33(40)37-24-27(19-23-42(37)46)28-18-21-34-36-14-9-13-35-32-11-4-8-17-41(32)47(44(35)36)43(34)25-28;1-2-10-27(11-3-1)28-12-8-13-31(24-28)43-38-18-6-5-15-33(38)37-25-29(21-23-40(37)43)30-20-22-34-36-17-9-16-35-32-14-4-7-19-39(32)44(42(35)36)41(34)26-30;1-2-9-27(10-3-1)28-17-21-31(22-18-28)43-38-15-6-4-11-32(38)34-23-19-29(25-40(34)43)30-20-24-35-37-14-8-13-36-33-12-5-7-16-39(33)44(42(36)37)41(35)26-30/h2*1-30H;2*3-26H,1-2H3;2*1-26H/i;;1D3;;;
InChIKeyKRLJIYOVOFIZAX-IDGSXTKZSA-N
XLogP72.22
TPSA56.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms282
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003587.45
LogP ≤ 572.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 159219083) is 4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)cc21.[2H]C([2H])([2H])C1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)cc21.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc54)c3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)cc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)c2)cc1.
What is the InChIKey of 4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is KRLJIYOVOFIZAX-IDGSXTKZSA-N. The full InChI is InChI=1S/2C48H30N2.2C45H30N2.2C42H26N2/c1-2-10-31(11-3-1)32-20-22-33(23-21-32)34-12-8-13-37(28-34)49-44-18-6-5-15-39(44)43-29-35(25-27-46(43)49)36-24-26-40-42-17-9-16-41-38-14-4-7-19-45(38)50(48(41)42)47(40)30-36;1-2-9-31(10-3-1)32-17-19-33(20-18-32)34-21-25-37(26-22-34)49-44-15-6-5-12-39(44)43-29-35(24-28-46(43)49)36-23-27-40-42-14-8-13-41-38-11-4-7-16-45(38)50(48(41)42)47(40)30-36;2*1-45(2)38-15-6-3-10-30(38)31-22-20-29(26-39(31)45)46-40-16-7-5-12-33(40)37-24-27(19-23-42(37)46)28-18-21-34-36-14-9-13-35-32-11-4-8-17-41(32)47(44(35)36)43(34)25-28;1-2-10-27(11-3-1)28-12-8-13-31(24-28)43-38-18-6-5-15-33(38)37-25-29(21-23-40(37)43)30-20-22-34-36-17-9-16-35-32-14-4-7-19-39(32)44(42(35)36)41(34)26-30;1-2-9-27(10-3-1)28-17-21-31(22-18-28)43-38-15-6-4-11-32(38)34-23-19-29(25-40(34)43)30-20-24-35-37-14-8-13-36-33-12-5-7-16-39(33)44(42(36)37)41(35)26-30/h2*1-30H;2*3-26H,1-2H3;2*1-26H/i;;1D3;;;.
What are the key properties of 4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 3587.45 g/mol, XLogP of 72.22, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(3-phenylphenyl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-(4-phenylphenyl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 159219083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).