8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene

C38H31N — CID 169132206

IUPAC8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene
SMILESCC1(C)c2ccccc2-c2ccc(N3c4cc(-c5ccccc5)ccc4C45CCC(C4)c4cccc3c45)cc21
InChIInChI=1S/C38H31N/c1-37(2)31-13-7-6-11-29(31)30-17-16-27(22-33(30)37)39-34-14-8-12-28-26-19-20-38(23-26,36(28)34)32-18-15-25(21-35(32)39)24-9-4-3-5-10-24/h3-18,21-22,26H,19-20,23H2,1-2H3
InChIKeyISLVDZOOALBWDH-UHFFFAOYSA-N
MW501.67 g/mol
LogP10.01
Rot. Bonds2

About 8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene

8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene (PubChem CID 169132206) has the molecular formula C38H31N and a molecular weight of 501.67 g/mol. Its IUPAC name is 8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene.

Molecular Properties

Compound Name8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene
PubChem CID169132206
Molecular FormulaC38H31N
Molecular Weight501.67 g/mol
Exact Mass501.25
IUPAC Name8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene
SMILESCC1(C)c2ccccc2-c2ccc(N3c4cc(-c5ccccc5)ccc4C45CCC(C4)c4cccc3c45)cc21
InChIInChI=1S/C38H31N/c1-37(2)31-13-7-6-11-29(31)30-17-16-27(22-33(30)37)39-34-14-8-12-28-26-19-20-38(23-26,36(28)34)32-18-15-25(21-35(32)39)24-9-4-3-5-10-24/h3-18,21-22,26H,19-20,23H2,1-2H3
InChIKeyISLVDZOOALBWDH-UHFFFAOYSA-N
XLogP10.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene with MolForge

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Related Compounds

14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
9-(9,9-dimethylfluoren-2-yl)-20-phenylspiro[2,9,15-triazaheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10(28),11,13,17(22),18,20,23(27),24-dodecaene-16,1'-cyclopropane]
CID 166769088
8-(9,9-dimethylfluoren-2-yl)-4,12-diphenyl-8-azaheptacyclo[12.6.6.11,9.02,7.015,20.021,26.013,27]heptacosa-2(7),3,5,9(27),10,12,15,17,19,21,23,25-dodecaene
CID 176747791
10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine
CID 155220844
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 158973199
18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene
CID 121321602
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
9,9-dimethyl-2,7-bis(5-phenylthiophen-2-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]acridine;10-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2,7-bis(5-phenylthiophen-2-yl)acridine;9,9-dimethyl-10-(4-phenylphenyl)-2,7-bis(5-phenylthiophen-2-yl)acridine
CID 158467826
17-(9,9-dimethylfluoren-2-yl)-1-methyl-13-(4-naphthalen-2-ylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 166803687
12,27-bis(9,9-dimethylfluoren-2-yl)-12,27-diazaheptacyclo[26.2.2.28,11.213,16.223,26.02,7.017,22]octatriaconta-1(30),2,4,6,8(38),9,11(37),13(36),14,16(35),17,19,21,23,25,28,31,33-octadecaene
CID 121263135
10-[14-(9,9-dimethylfluoren-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 122659751

Frequently Asked Questions

What is the IUPAC name of 8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene?
The IUPAC name of 8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene (CID 169132206) is 8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene.
What is the SMILES notation for 8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene?
The canonical SMILES for 8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene is CC1(C)c2ccccc2-c2ccc(N3c4cc(-c5ccccc5)ccc4C45CCC(C4)c4cccc3c45)cc21.
What is the InChIKey of 8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene?
The InChIKey is ISLVDZOOALBWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N/c1-37(2)31-13-7-6-11-29(31)30-17-16-27(22-33(30)37)39-34-14-8-12-28-26-19-20-38(23-26,36(28)34)32-18-15-25(21-35(32)39)24-9-4-3-5-10-24/h3-18,21-22,26H,19-20,23H2,1-2H3.
What are the key properties of 8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene?
8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene has a molecular weight of 501.67 g/mol, XLogP of 10.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,9-dimethylfluoren-2-yl)-5-phenyl-8-azapentacyclo[7.7.1.11,14.02,7.013,17]octadeca-2(7),3,5,9,11,13(17)-hexaene is sourced from PubChem (CID 169132206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).