15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene

C33H23N — CID 138512423

IUPAC15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene
SMILESCc1c2c3c(cccc3n1-c1cccc(-c3ccccc3)c1)-c1ccccc1-c1ccccc1-2
InChIInChI=1S/C33H23N/c1-22-32-29-18-8-7-16-27(29)26-15-5-6-17-28(26)30-19-10-20-31(33(30)32)34(22)25-14-9-13-24(21-25)23-11-3-2-4-12-23/h2-21H,1H3
InChIKeyNCAKUBHELNSLHN-UHFFFAOYSA-N
MW433.55 g/mol
LogP8.92
Rot. Bonds2

About 15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene

15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene (PubChem CID 138512423) has the molecular formula C33H23N and a molecular weight of 433.55 g/mol. Its IUPAC name is 15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene.

Molecular Properties

Compound Name15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene
PubChem CID138512423
Molecular FormulaC33H23N
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC Name15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene
SMILESCc1c2c3c(cccc3n1-c1cccc(-c3ccccc3)c1)-c1ccccc1-c1ccccc1-2
InChIInChI=1S/C33H23N/c1-22-32-29-18-8-7-16-27(29)26-15-5-6-17-28(26)30-19-10-20-31(33(30)32)34(22)25-14-9-13-24(21-25)23-11-3-2-4-12-23/h2-21H,1H3
InChIKeyNCAKUBHELNSLHN-UHFFFAOYSA-N
XLogP8.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene with MolForge

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Related Compounds

16-(3-phenylphenyl)-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene
CID 139497770
9-(3-phenylphenyl)-3-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386007
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386103
5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 134369790
4,5-dibromo-9-(3-phenylphenyl)carbazole
CID 139379846
9-[3-[4-(4-methylphenyl)phenyl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170201902
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789351
9-(3-phenylphenyl)-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138747357
9-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134300978

Frequently Asked Questions

What is the IUPAC name of 15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene?
The IUPAC name of 15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene (CID 138512423) is 15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene.
What is the SMILES notation for 15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene?
The canonical SMILES for 15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene is Cc1c2c3c(cccc3n1-c1cccc(-c3ccccc3)c1)-c1ccccc1-c1ccccc1-2.
What is the InChIKey of 15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene?
The InChIKey is NCAKUBHELNSLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N/c1-22-32-29-18-8-7-16-27(29)26-15-5-6-17-28(26)30-19-10-20-31(33(30)32)34(22)25-14-9-13-24(21-25)23-11-3-2-4-12-23/h2-21H,1H3.
What are the key properties of 15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene?
15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene has a molecular weight of 433.55 g/mol, XLogP of 8.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-16-(3-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene is sourced from PubChem (CID 138512423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).