10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

C38H25N — CID 146368949

IUPAC10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESc1ccc(-c2cccc(-n3c4cc5ccccc5cc4c4cc5ccccc5c(-c5ccccc5)c43)c2)cc1
InChIInChI=1S/C38H25N/c1-3-12-26(13-4-1)28-19-11-20-32(22-28)39-36-25-30-17-8-7-16-29(30)23-34(36)35-24-31-18-9-10-21-33(31)37(38(35)39)27-14-5-2-6-15-27/h1-25H
InChIKeyUHZAVEMCHUHIQQ-UHFFFAOYSA-N
MW495.63 g/mol
LogP10.42
Rot. Bonds3

About 10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (PubChem CID 146368949) has the molecular formula C38H25N and a molecular weight of 495.63 g/mol. Its IUPAC name is 10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.

Molecular Properties

Compound Name10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
PubChem CID146368949
Molecular FormulaC38H25N
Molecular Weight495.63 g/mol
Exact Mass495.20
IUPAC Name10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESc1ccc(-c2cccc(-n3c4cc5ccccc5cc4c4cc5ccccc5c(-c5ccccc5)c43)c2)cc1
InChIInChI=1S/C38H25N/c1-3-12-26(13-4-1)28-19-11-20-32(22-28)39-36-25-30-17-8-7-16-29(30)23-34(36)35-24-31-18-9-10-21-33(31)37(38(35)39)27-14-5-2-6-15-27/h1-25H
InChIKeyUHZAVEMCHUHIQQ-UHFFFAOYSA-N
XLogP10.42
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene with MolForge

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Related Compounds

6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
CID 134552559
12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 147944550
12-phenyl-14-[9-(4-phenylphenyl)carbazol-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-phenyl-14-[9-(4-phenylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-(3-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole;5-(3-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 157268942
6-phenyl-1-[9-[4-(6-phenylbenzo[b]carbazol-5-yl)phenyl]carbazol-4-yl]-5-[9-[3-[6-phenyl-5-(9-phenylcarbazol-2-yl)benzo[b]carbazol-2-yl]phenyl]carbazol-3-yl]benzo[b]carbazole
CID 134556035
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552522
N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline
CID 134552415
6-(9-phenylcarbazol-3-yl)-5-[9-(4-phenylphenyl)carbazol-2-yl]-1-[9-phenyl-7-[5-(9-phenylcarbazol-2-yl)benzo[b]carbazol-6-yl]carbazol-3-yl]benzo[b]carbazole
CID 134556122
4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline
CID 134552398
5,12-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727741
N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline
CID 134552399
6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 134552769
6-(4-phenylphenyl)-1-[7-[3-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]carbazol-9-yl]naphthalen-2-yl]-5-[9-[4-[3-[6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazol-2-yl]phenyl]phenyl]carbazol-3-yl]benzo[b]carbazole
CID 134556038

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The IUPAC name of 10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (CID 146368949) is 10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.
What is the SMILES notation for 10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The canonical SMILES for 10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is c1ccc(-c2cccc(-n3c4cc5ccccc5cc4c4cc5ccccc5c(-c5ccccc5)c43)c2)cc1.
What is the InChIKey of 10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The InChIKey is UHZAVEMCHUHIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N/c1-3-12-26(13-4-1)28-19-11-20-32(22-28)39-36-25-30-17-8-7-16-29(30)23-34(36)35-24-31-18-9-10-21-33(31)37(38(35)39)27-14-5-2-6-15-27/h1-25H.
What are the key properties of 10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene has a molecular weight of 495.63 g/mol, XLogP of 10.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is sourced from PubChem (CID 146368949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).