9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene

C38H35N — CID 174299395

IUPAC9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene
SMILESC1=Cc2c(C3=CCC(c4ccccc4)C=C3)cc3ccc4c(c5ccccc5n4C4CCCCC4)c3c2CC1
InChIInChI=1S/C38H35N/c1-3-11-26(12-4-1)27-19-21-28(22-20-27)34-25-29-23-24-36-38(37(29)32-16-8-7-15-31(32)34)33-17-9-10-18-35(33)39(36)30-13-5-2-6-14-30/h1,3-4,7,9-12,15,17-19,21-25,27,30H,2,5-6,8,13-14,16,20H2
InChIKeyAJCGKSLMGRPLJW-UHFFFAOYSA-N
MW505.71 g/mol
LogP10.54
Rot. Bonds3

About 9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene

9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene (PubChem CID 174299395) has the molecular formula C38H35N and a molecular weight of 505.71 g/mol. Its IUPAC name is 9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene.

Molecular Properties

Compound Name9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene
PubChem CID174299395
Molecular FormulaC38H35N
Molecular Weight505.71 g/mol
Exact Mass505.28
IUPAC Name9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene
SMILESC1=Cc2c(C3=CCC(c4ccccc4)C=C3)cc3ccc4c(c5ccccc5n4C4CCCCC4)c3c2CC1
InChIInChI=1S/C38H35N/c1-3-11-26(12-4-1)27-19-21-28(22-20-27)34-25-29-23-24-36-38(37(29)32-16-8-7-15-31(32)34)33-17-9-10-18-35(33)39(36)30-13-5-2-6-14-30/h1,3-4,7,9-12,15,17-19,21-25,27,30H,2,5-6,8,13-14,16,20H2
InChIKeyAJCGKSLMGRPLJW-UHFFFAOYSA-N
XLogP10.54
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.71
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene with MolForge

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Related Compounds

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CID 167044114
9-cyclononylcarbazole
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3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)phenyl]-6-phenylcarbazole
CID 167403511
ethane;10-[3-(2-ethylphenyl)-2-methylphenyl]-9-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2-dihydroanthracene
CID 144658599
9-(4-phenylcyclohexa-1,5-dien-1-yl)-7-triphenylen-2-yl-1,2,4b,8a-tetrahydrocarbazole
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CID 134390909
9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole
CID 129022406
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 177112927
3-[4-(10-naphthalen-2-ylphenanthren-3-yl)cyclohexa-1,5-dien-1-yl]-9-phenylcarbazole
CID 145156378
14-(4,4a,5,6-tetrahydronaphthalen-2-yl)-9-(4-naphthalen-1-ylphenyl)-6-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,11,15(20)-hexaene
CID 174290081
9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole
CID 167072509
9-cyclobutylcarbazole
CID 66713557

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene?
The IUPAC name of 9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene (CID 174299395) is 9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene.
What is the SMILES notation for 9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene?
The canonical SMILES for 9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene is C1=Cc2c(C3=CCC(c4ccccc4)C=C3)cc3ccc4c(c5ccccc5n4C4CCCCC4)c3c2CC1.
What is the InChIKey of 9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene?
The InChIKey is AJCGKSLMGRPLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N/c1-3-11-26(12-4-1)27-19-21-28(22-20-27)34-25-29-23-24-36-38(37(29)32-16-8-7-15-31(32)34)33-17-9-10-18-35(33)39(36)30-13-5-2-6-14-30/h1,3-4,7,9-12,15,17-19,21-25,27,30H,2,5-6,8,13-14,16,20H2.
What are the key properties of 9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene?
9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene has a molecular weight of 505.71 g/mol, XLogP of 10.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-15-(4-phenylcyclohexa-1,5-dien-1-yl)-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17-nonaene is sourced from PubChem (CID 174299395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).