11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene

C42H27N3 — CID 123940572

IUPAC11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
SMILESc1ccc(-n2ccc3cc4c5ccc6ccccc6c5n(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4cc32)cc1
InChIInChI=1S/C42H27N3/c1-2-11-30(12-3-1)43-25-24-29-26-37-36-23-18-28-10-4-5-13-33(28)42(36)45(41(37)27-40(29)43)32-21-19-31(20-22-32)44-38-16-8-6-14-34(38)35-15-7-9-17-39(35)44/h1-27H
InChIKeyHZRIXEHQSCTOBM-UHFFFAOYSA-N
MW573.70 g/mol
LogP10.98
Rot. Bonds3

About 11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene

11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene (PubChem CID 123940572) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene.

Molecular Properties

Compound Name11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
PubChem CID123940572
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
SMILESc1ccc(-n2ccc3cc4c5ccc6ccccc6c5n(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4cc32)cc1
InChIInChI=1S/C42H27N3/c1-2-11-30(12-3-1)43-25-24-29-26-37-36-23-18-28-10-4-5-13-33(28)42(36)45(41(37)27-40(29)43)32-21-19-31(20-22-32)44-38-16-8-6-14-34(38)35-15-7-9-17-39(35)44/h1-27H
InChIKeyHZRIXEHQSCTOBM-UHFFFAOYSA-N
XLogP10.98
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole
CID 118315026
7-phenyl-20-(9-phenylcarbazol-3-yl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223118
10-(4-carbazol-9-ylphenyl)-18-phenyl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222800
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
23-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-9,19-diphenyl-9,19,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,17,20-decaene
CID 90267121
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223094
phenyl-[4-(1-phenylpyrrolo[2,3-b]carbazol-9-yl)phenyl]methanone
CID 118315065
14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,18-diphenyl-10,14,18-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267307
triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane
CID 90222904
7-phenyl-20-(3-phenylphenyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223138
1-phenyl-9-(7-phenyltriphenylen-2-yl)pyrrolo[2,3-b]carbazole
CID 118315018
20-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaene
CID 90222913

Frequently Asked Questions

What is the IUPAC name of 11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?
The IUPAC name of 11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene (CID 123940572) is 11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene.
What is the SMILES notation for 11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?
The canonical SMILES for 11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene is c1ccc(-n2ccc3cc4c5ccc6ccccc6c5n(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4cc32)cc1.
What is the InChIKey of 11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?
The InChIKey is HZRIXEHQSCTOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c1-2-11-30(12-3-1)43-25-24-29-26-37-36-23-18-28-10-4-5-13-33(28)42(36)45(41(37)27-40(29)43)32-21-19-31(20-22-32)44-38-16-8-6-14-34(38)35-15-7-9-17-39(35)44/h1-27H.
What are the key properties of 11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene?
11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene has a molecular weight of 573.70 g/mol, XLogP of 10.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene is sourced from PubChem (CID 123940572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).