3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

C38H23N3 — CID 122434535

IUPAC3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5nc6c7c(cccc7n5)-c5ccccc5-6)cc4)ccc32)cc1
InChIInChI=1S/C38H23N3/c1-2-9-27(10-3-1)41-34-16-7-6-12-29(34)32-23-26(21-22-35(32)41)24-17-19-25(20-18-24)38-39-33-15-8-14-30-28-11-4-5-13-31(28)37(40-38)36(30)33/h1-23H
InChIKeyNGNUJLCEHAYHLD-UHFFFAOYSA-N
MW521.62 g/mol
LogP9.71
Rot. Bonds3

About 3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (PubChem CID 122434535) has the molecular formula C38H23N3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

Molecular Properties

Compound Name3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
PubChem CID122434535
Molecular FormulaC38H23N3
Molecular Weight521.62 g/mol
Exact Mass521.19
IUPAC Name3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5nc6c7c(cccc7n5)-c5ccccc5-6)cc4)ccc32)cc1
InChIInChI=1S/C38H23N3/c1-2-9-27(10-3-1)41-34-16-7-6-12-29(34)32-23-26(21-22-35(32)41)24-17-19-25(20-18-24)38-39-33-15-8-14-30-28-11-4-5-13-31(28)37(40-38)36(30)33/h1-23H
InChIKeyNGNUJLCEHAYHLD-UHFFFAOYSA-N
XLogP9.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene 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

3-(9-phenylcarbazol-3-yl)-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 122434517
3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325819
3-[6-[3-(3-phenylphenyl)carbazol-9-yl]naphthalen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325680
2-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130325936
3-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325812
11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 138533190
3-[8-(9-phenylcarbazol-4-yl)dibenzothiophen-2-yl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 122434531
7-[6-[6-[3-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9-(3-phenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-yl]-3-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130330976
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130325999
9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The IUPAC name of 3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (CID 122434535) is 3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.
What is the SMILES notation for 3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The canonical SMILES for 3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5nc6c7c(cccc7n5)-c5ccccc5-6)cc4)ccc32)cc1.
What is the InChIKey of 3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The InChIKey is NGNUJLCEHAYHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3/c1-2-9-27(10-3-1)41-34-16-7-6-12-29(34)32-23-26(21-22-35(32)41)24-17-19-25(20-18-24)38-39-33-15-8-14-30-28-11-4-5-13-31(28)37(40-38)36(30)33/h1-23H.
What are the key properties of 3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene has a molecular weight of 521.62 g/mol, XLogP of 9.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9-phenylcarbazol-3-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is sourced from PubChem (CID 122434535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).