9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C32H23N — CID 126632479

IUPAC9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCn1c2ccccc2c2c3c(ccc21)C(c1ccccc1)(c1ccccc1)c1ccccc1-3
InChIInChI=1S/C32H23N/c1-33-28-19-11-9-17-25(28)31-29(33)21-20-27-30(31)24-16-8-10-18-26(24)32(27,22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-21H,1H3
InChIKeyFFIZCHULLPKNGW-UHFFFAOYSA-N
MW421.54 g/mol
LogP7.69
Rot. Bonds2

About 9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 126632479) has the molecular formula C32H23N and a molecular weight of 421.54 g/mol. Its IUPAC name is 9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID126632479
Molecular FormulaC32H23N
Molecular Weight421.54 g/mol
Exact Mass421.18
IUPAC Name9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCn1c2ccccc2c2c3c(ccc21)C(c1ccccc1)(c1ccccc1)c1ccccc1-3
InChIInChI=1S/C32H23N/c1-33-28-19-11-9-17-25(28)31-29(33)21-20-27-30(31)24-16-8-10-18-26(24)32(27,22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-21H,1H3
InChIKeyFFIZCHULLPKNGW-UHFFFAOYSA-N
XLogP7.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

15-methyl-10,10,20,20-tetraphenyl-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 142380452
10,10-diphenyl-15,35-diazaundecacyclo[20.15.1.124,28.02,14.03,11.04,9.015,38.016,21.023,36.029,34.035,39]nonatriaconta-1(37),2(14),3(11),4,6,8,12,16,18,20,22(38),23(36),24,26,28(39),29,31,33-octadecaene
CID 138745289
12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole
CID 139407394
14,14-diphenyl-9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161419059
CID 134551696
CID 134551696
3-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-3-yl)anthracen-1-yl]-9-methylcarbazole
CID 155333765
9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158497091
12-methyl-16,16-diphenyl-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene;24-methyl-9,9-diphenyl-24-azahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
CID 144919780
4-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole
CID 155333058
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,10'-anthracene]
CID 163786674
1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole
CID 155333527
14,14-diphenyl-9-(3-phenylquinoxalin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14,14-triphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 161339156

Frequently Asked Questions

What is the IUPAC name of 9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 126632479) is 9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is Cn1c2ccccc2c2c3c(ccc21)C(c1ccccc1)(c1ccccc1)c1ccccc1-3.
What is the InChIKey of 9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is FFIZCHULLPKNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N/c1-33-28-19-11-9-17-25(28)31-29(33)21-20-27-30(31)24-16-8-10-18-26(24)32(27,22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-21H,1H3.
What are the key properties of 9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 421.54 g/mol, XLogP of 7.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 126632479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).