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

C47H31N3 — CID 146187435

IUPAC5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4nc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1
InChIInChI=1S/C47H31N3/c1-3-12-32(13-4-1)34-22-25-37(26-23-34)49-44-21-10-8-19-40(44)47-46(49)29-27-42(48-47)36-24-28-45-41(31-36)39-18-7-9-20-43(39)50(45)38-17-11-16-35(30-38)33-14-5-2-6-15-33/h1-31H
InChIKeyDLYRVZOKLIEERN-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.28
Rot. Bonds5

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

5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole (PubChem CID 146187435) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole
PubChem CID146187435
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4nc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1
InChIInChI=1S/C47H31N3/c1-3-12-32(13-4-1)34-22-25-37(26-23-34)49-44-21-10-8-19-40(44)47-46(49)29-27-42(48-47)36-24-28-45-41(31-36)39-18-7-9-20-43(39)50(45)38-17-11-16-35(30-38)33-14-5-2-6-15-33/h1-31H
InChIKeyDLYRVZOKLIEERN-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

2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine
CID 89369583
2-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-2-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole
CID 161134687
5-phenyl-2-[3-[2-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-5-yl]phenyl]pyrido[3,2-b]indole
CID 90086351
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-(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
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
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-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590474

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole?
The IUPAC name of 5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole (CID 146187435) is 5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole?
The canonical SMILES for 5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole is c1ccc(-c2ccc(-n3c4ccccc4c4nc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1.
What is the InChIKey of 5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole?
The InChIKey is DLYRVZOKLIEERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-3-12-32(13-4-1)34-22-25-37(26-23-34)49-44-21-10-8-19-40(44)47-46(49)29-27-42(48-47)36-24-28-45-41(31-36)39-18-7-9-20-43(39)50(45)38-17-11-16-35(30-38)33-14-5-2-6-15-33/h1-31H.
What are the key properties of 5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole?
5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-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-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 146187435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).