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

C42H27N3 — CID 90222800

IUPAC10-(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
SMILESc1ccc(-n2ccc3cc4cc5c(cc4cc32)c2ccccc2n5-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C42H27N3/c1-2-10-31(11-3-1)43-23-22-28-24-29-27-42-37(25-30(29)26-41(28)43)36-14-6-9-17-40(36)45(42)33-20-18-32(19-21-33)44-38-15-7-4-12-34(38)35-13-5-8-16-39(35)44/h1-27H
InChIKeyIJXKKROPWKVQTN-UHFFFAOYSA-N
MW573.70 g/mol
LogP10.98
Rot. Bonds3

About 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

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 (PubChem CID 90222800) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-(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
PubChem CID90222800
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name10-(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
SMILESc1ccc(-n2ccc3cc4cc5c(cc4cc32)c2ccccc2n5-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C42H27N3/c1-2-10-31(11-3-1)43-23-22-28-24-29-27-42-37(25-30(29)26-41(28)43)36-14-6-9-17-40(36)45(42)33-20-18-32(19-21-33)44-38-15-7-4-12-34(38)35-13-5-8-16-39(35)44/h1-27H
InChIKeyIJXKKROPWKVQTN-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 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 with MolForge

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Related Compounds

16-(3,5-diphenylphenyl)-10-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223381
9-(3-carbazol-9-ylphenyl)-1-phenylpyrrolo[2,3-b]carbazole
CID 118315081
3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
10-(2,6-dipyridin-2-yl-4-pyridinyl)-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223602
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
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
18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methylphenyl]-10-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 90223365
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
N-[4-(10,17-diphenyl-10,17,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,18,20-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267289
16-phenyl-10-(3-pyridin-4-ylphenyl)-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223553

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2ccc3cc4cc5c(cc4cc32)c2ccccc2n5-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is IJXKKROPWKVQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c1-2-10-31(11-3-1)43-23-22-28-24-29-27-42-37(25-30(29)26-41(28)43)36-14-6-9-17-40(36)45(42)33-20-18-32(19-21-33)44-38-15-7-4-12-34(38)35-13-5-8-16-39(35)44/h1-27H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 90222800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).