5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole

C47H31N3 — CID 118586979

IUPAC5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole
SMILESc1ccc(-c2cccc(-n3c4cc(-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc4c4ncccc43)c2)cc1
InChIInChI=1S/C47H31N3/c1-3-13-32(14-4-1)34-17-9-19-37(29-34)49-42-23-8-7-21-40(42)46-39(22-11-24-43(46)49)36-26-27-41-45(31-36)50(44-25-12-28-48-47(41)44)38-20-10-18-35(30-38)33-15-5-2-6-16-33/h1-31H
InChIKeyHYJBBLJXSQUTRL-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.28
Rot. Bonds5

About 5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole

5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole (PubChem CID 118586979) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole
PubChem CID118586979
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole
SMILESc1ccc(-c2cccc(-n3c4cc(-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc4c4ncccc43)c2)cc1
InChIInChI=1S/C47H31N3/c1-3-13-32(14-4-1)34-17-9-19-37(29-34)49-42-23-8-7-21-40(42)46-39(22-11-24-43(46)49)36-26-27-41-45(31-36)50(44-25-12-28-48-47(41)44)38-20-10-18-35(30-38)33-15-5-2-6-16-33/h1-31H
InChIKeyHYJBBLJXSQUTRL-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

5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 129221830
7-(9-phenylcarbazol-1-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-phenyl-7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,2-b]indole
CID 158647779
5-phenyl-9-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587992
5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole
CID 129221822
4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386046
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
CID 129221860
7-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 129221390
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
9-(3-phenylphenyl)-2-[2-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]carbazole
CID 165386103
2-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 162097469
4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386054
5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 159364735

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole?
The IUPAC name of 5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole (CID 118586979) is 5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole?
The canonical SMILES for 5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole is c1ccc(-c2cccc(-n3c4cc(-c5cccc6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc4c4ncccc43)c2)cc1.
What is the InChIKey of 5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole?
The InChIKey is HYJBBLJXSQUTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-3-13-32(14-4-1)34-17-9-19-37(29-34)49-42-23-8-7-21-40(42)46-39(22-11-24-43(46)49)36-26-27-41-45(31-36)50(44-25-12-28-48-47(41)44)38-20-10-18-35(30-38)33-15-5-2-6-16-33/h1-31H.
What are the key properties of 5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole?
5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-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 5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 118586979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).