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

C47H31N3 — CID 118587534

IUPAC9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7cccnc7n(-c7ccc(-c8ccccc8)cc7)c6c5)cc43)cc2)cc1
InChIInChI=1S/C47H31N3/c1-3-10-32(11-4-1)34-17-23-38(24-18-34)49-44-16-8-7-14-40(44)41-27-21-36(30-45(41)49)37-22-28-42-43-15-9-29-48-47(43)50(46(42)31-37)39-25-19-35(20-26-39)33-12-5-2-6-13-33/h1-31H
InChIKeySXPLZBIJBVNGMC-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.28
Rot. Bonds5

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

9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole (PubChem CID 118587534) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
PubChem CID118587534
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7cccnc7n(-c7ccc(-c8ccccc8)cc7)c6c5)cc43)cc2)cc1
InChIInChI=1S/C47H31N3/c1-3-10-32(11-4-1)34-17-23-38(24-18-34)49-44-16-8-7-14-40(44)41-27-21-36(30-45(41)49)37-22-28-42-43-15-9-29-48-47(43)50(46(42)31-37)39-25-19-35(20-26-39)33-12-5-2-6-13-33/h1-31H
InChIKeySXPLZBIJBVNGMC-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)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 159710225
9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699
7-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
CID 129221910
6-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587515
7-bromo-9-(4-phenylphenyl)pyrido[2,3-b]indole
CID 129221567
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221681
9-(3,5-dipyridin-2-ylphenyl)-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221618
9-(4,6-diphenyl-2-pyridinyl)-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221619
7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587684
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole (CID 118587534) is 9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c7cccnc7n(-c7ccc(-c8ccccc8)cc7)c6c5)cc43)cc2)cc1.
What is the InChIKey of 9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole?
The InChIKey is SXPLZBIJBVNGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-3-10-32(11-4-1)34-17-23-38(24-18-34)49-44-16-8-7-14-40(44)41-27-21-36(30-45(41)49)37-22-28-42-43-15-9-29-48-47(43)50(46(42)31-37)39-25-19-35(20-26-39)33-12-5-2-6-13-33/h1-31H.
What are the key properties of 9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole?
9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-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-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 118587534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).