3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole

C148H116F4N6 — CID 158767431

IUPAC3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2)c1.Fc1ccc2c(c1)c1cc(F)ccc1n2-c1cccc(-c2cccc(-n3c4ccc(F)cc4c4cc(F)ccc43)c2)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3)c2)cc1
InChIInChI=1S/C60H40N2.C52H56N2.C36H20F4N2/c1-5-15-41(16-6-1)47-27-31-57-53(37-47)54-38-48(42-17-7-2-8-18-42)28-32-58(54)61(57)51-25-13-23-45(35-51)46-24-14-26-52(36-46)62-59-33-29-49(43-19-9-3-10-20-43)39-55(59)56-40-50(30-34-60(56)62)44-21-11-4-12-22-44;1-49(2,3)35-19-23-45-41(29-35)42-30-36(50(4,5)6)20-24-46(42)53(45)39-17-13-15-33(27-39)34-16-14-18-40(28-34)54-47-25-21-37(51(7,8)9)31-43(47)44-32-38(52(10,11)12)22-26-48(44)54;37-23-7-11-33-29(17-23)30-18-24(38)8-12-34(30)41(33)27-5-1-3-21(15-27)22-4-2-6-28(16-22)42-35-13-9-25(39)19-31(35)32-20-26(40)10-14-36(32)42/h1-40H;13-32H,1-12H3;1-20H
InChIKeyIPKZENHDFTVBKL-UHFFFAOYSA-N
MW2054.59 g/mol
LogP41.06
Rot. Bonds13

About 3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole

3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole (PubChem CID 158767431) has the molecular formula C148H116F4N6 and a molecular weight of 2054.59 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole
PubChem CID158767431
Molecular FormulaC148H116F4N6
Molecular Weight2054.59 g/mol
Exact Mass2052.92
IUPAC Name3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2)c1.Fc1ccc2c(c1)c1cc(F)ccc1n2-c1cccc(-c2cccc(-n3c4ccc(F)cc4c4cc(F)ccc43)c2)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3)c2)cc1
InChIInChI=1S/C60H40N2.C52H56N2.C36H20F4N2/c1-5-15-41(16-6-1)47-27-31-57-53(37-47)54-38-48(42-17-7-2-8-18-42)28-32-58(54)61(57)51-25-13-23-45(35-51)46-24-14-26-52(36-46)62-59-33-29-49(43-19-9-3-10-20-43)39-55(59)56-40-50(30-34-60(56)62)44-21-11-4-12-22-44;1-49(2,3)35-19-23-45-41(29-35)42-30-36(50(4,5)6)20-24-46(42)53(45)39-17-13-15-33(27-39)34-16-14-18-40(28-34)54-47-25-21-37(51(7,8)9)31-43(47)44-32-38(52(10,11)12)22-26-48(44)54;37-23-7-11-33-29(17-23)30-18-24(38)8-12-34(30)41(33)27-5-1-3-21(15-27)22-4-2-6-28(16-22)42-35-13-9-25(39)19-31(35)32-20-26(40)10-14-36(32)42/h1-40H;13-32H,1-12H3;1-20H
InChIKeyIPKZENHDFTVBKL-UHFFFAOYSA-N
XLogP41.06
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002054.59
LogP ≤ 541.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole with MolForge

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Related Compounds

3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
3-tert-butyl-9-[3-(3-tert-butylcarbazol-9-yl)-5-(3,5-diphenylphenyl)phenyl]carbazole;3-tert-butyl-9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;[9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-triphenylsilane;9-[3-(3,6-difluorocarbazol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-3,6-difluorocarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-5-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole;9-[3-(3,5-diphenylphenyl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 159201788
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
3-tert-butyl-6-[4-[4-(2,6-ditert-butyl-10-phenylanthracen-9-yl)phenyl]phenyl]-9-phenylcarbazole;3-tert-butyl-6-[4-[4-[2,6-ditert-butyl-10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]phenyl]-9-phenylcarbazole
CID 161415057
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
3,6-ditert-butyl-9-[3-[8-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole
CID 67473630
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
[6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid
CID 141471421
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole
CID 157143874
3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole
CID 161077338
9-[3-(3-carbazol-9-ylphenyl)phenyl]-3-(1,1,1-trideuterio-2-methylpropan-2-yl)carbazole
CID 88594409

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole (CID 158767431) is 3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2)c1.Fc1ccc2c(c1)c1cc(F)ccc1n2-c1cccc(-c2cccc(-n3c4ccc(F)cc4c4cc(F)ccc43)c2)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3)c2)cc1.
What is the InChIKey of 3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole?
The InChIKey is IPKZENHDFTVBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2.C52H56N2.C36H20F4N2/c1-5-15-41(16-6-1)47-27-31-57-53(37-47)54-38-48(42-17-7-2-8-18-42)28-32-58(54)61(57)51-25-13-23-45(35-51)46-24-14-26-52(36-46)62-59-33-29-49(43-19-9-3-10-20-43)39-55(59)56-40-50(30-34-60(56)62)44-21-11-4-12-22-44;1-49(2,3)35-19-23-45-41(29-35)42-30-36(50(4,5)6)20-24-46(42)53(45)39-17-13-15-33(27-39)34-16-14-18-40(28-34)54-47-25-21-37(51(7,8)9)31-43(47)44-32-38(52(10,11)12)22-26-48(44)54;37-23-7-11-33-29(17-23)30-18-24(38)8-12-34(30)41(33)27-5-1-3-21(15-27)22-4-2-6-28(16-22)42-35-13-9-25(39)19-31(35)32-20-26(40)10-14-36(32)42/h1-40H;13-32H,1-12H3;1-20H.
What are the key properties of 3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole?
3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole has a molecular weight of 2054.59 g/mol, XLogP of 41.06, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 158767431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).