9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole

C47H31N3 — CID 90336623

IUPAC9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccncc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1
InChIInChI=1S/C47H31N3/c1-3-11-32(12-4-1)34-15-9-17-38(27-34)49-44-20-8-7-19-40(44)42-29-36(21-23-45(42)49)37-22-24-46-43(30-37)41-25-26-48-31-47(41)50(46)39-18-10-16-35(28-39)33-13-5-2-6-14-33/h1-31H
InChIKeyVDICMOUVGZQEJA-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.28
Rot. Bonds5

About 9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole

9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole (PubChem CID 90336623) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
PubChem CID90336623
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccncc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1
InChIInChI=1S/C47H31N3/c1-3-11-32(12-4-1)34-15-9-17-38(27-34)49-44-20-8-7-19-40(44)42-29-36(21-23-45(42)49)37-22-24-46-43(30-37)41-25-26-48-31-47(41)50(46)39-18-10-16-35(28-39)33-13-5-2-6-14-33/h1-31H
InChIKeyVDICMOUVGZQEJA-UHFFFAOYSA-N
XLogP12.28
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
CID 90336649
10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 139575264
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 134544928
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole?
The IUPAC name of 9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole (CID 90336623) is 9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole?
The canonical SMILES for 9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccncc5n6-c5cccc(-c6ccccc6)c5)ccc43)c2)cc1.
What is the InChIKey of 9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole?
The InChIKey is VDICMOUVGZQEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-3-11-32(12-4-1)34-15-9-17-38(27-34)49-44-20-8-7-19-40(44)42-29-36(21-23-45(42)49)37-22-24-46-43(30-37)41-25-26-48-31-47(41)50(46)39-18-10-16-35(28-39)33-13-5-2-6-14-33/h1-31H.
What are the key properties of 9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole?
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole has a molecular weight of 637.79 g/mol, XLogP of 12.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole is sourced from PubChem (CID 90336623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).