9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene

C43H29N3 — CID 90223710

IUPAC9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
SMILESCc1ccccc1-n1ccc2ccc3c(ccc4c3c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c21
InChIInChI=1S/C43H29N3/c1-28-10-2-6-14-37(28)44-27-26-29-18-23-34-35(43(29)44)24-25-41-42(34)36-13-5-9-17-40(36)46(41)31-21-19-30(20-22-31)45-38-15-7-3-11-32(38)33-12-4-8-16-39(33)45/h2-27H,1H3
InChIKeyUAEKQRVHMUYNIW-UHFFFAOYSA-N
MW587.73 g/mol
LogP11.29
Rot. Bonds3

About 9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene

9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene (PubChem CID 90223710) has the molecular formula C43H29N3 and a molecular weight of 587.73 g/mol. Its IUPAC name is 9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene.

Molecular Properties

Compound Name9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
PubChem CID90223710
Molecular FormulaC43H29N3
Molecular Weight587.73 g/mol
Exact Mass587.24
IUPAC Name9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
SMILESCc1ccccc1-n1ccc2ccc3c(ccc4c3c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c21
InChIInChI=1S/C43H29N3/c1-28-10-2-6-14-37(28)44-27-26-29-18-23-34-35(43(29)44)24-25-41-42(34)36-13-5-9-17-40(36)46(41)31-21-19-30(20-22-31)45-38-15-7-3-11-32(38)33-12-4-8-16-39(33)45/h2-27H,1H3
InChIKeyUAEKQRVHMUYNIW-UHFFFAOYSA-N
XLogP11.29
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.73
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene with MolForge

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Related Compounds

9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 90223722
15-phenyl-9-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 144645343
15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 90223604
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene
CID 90223081
4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]aniline
CID 118315359
10-[4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)phenyl]phenothiazine
CID 118315382
N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine
CID 118316091
9-(4-methylphenyl)-N-phenyl-N-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine
CID 118316037
9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315164
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235

Frequently Asked Questions

What is the IUPAC name of 9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
The IUPAC name of 9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene (CID 90223710) is 9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene.
What is the SMILES notation for 9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
The canonical SMILES for 9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene is Cc1ccccc1-n1ccc2ccc3c(ccc4c3c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c21.
What is the InChIKey of 9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
The InChIKey is UAEKQRVHMUYNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3/c1-28-10-2-6-14-37(28)44-27-26-29-18-23-34-35(43(29)44)24-25-41-42(34)36-13-5-9-17-40(36)46(41)31-21-19-30(20-22-31)45-38-15-7-3-11-32(38)33-12-4-8-16-39(33)45/h2-27H,1H3.
What are the key properties of 9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene has a molecular weight of 587.73 g/mol, XLogP of 11.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene is sourced from PubChem (CID 90223710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).