9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline

C44H28N4 — CID 90336687

IUPAC9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4nc5ccccc5nc43)cc2)cc1
InChIInChI=1S/C44H28N4/c1-3-11-29(12-4-1)30-19-23-34(24-20-30)48-42-26-22-32(28-37(42)43-44(48)46-39-17-9-8-16-38(39)45-43)31-21-25-41-36(27-31)35-15-7-10-18-40(35)47(41)33-13-5-2-6-14-33/h1-28H
InChIKeyPJIGOWJYQUYZQO-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.16
Rot. Bonds4

About 9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline

9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline (PubChem CID 90336687) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline
PubChem CID90336687
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4nc5ccccc5nc43)cc2)cc1
InChIInChI=1S/C44H28N4/c1-3-11-29(12-4-1)30-19-23-34(24-20-30)48-42-26-22-32(28-37(42)43-44(48)46-39-17-9-8-16-38(39)45-43)31-21-25-41-36(27-31)35-15-7-10-18-40(35)47(41)33-13-5-2-6-14-33/h1-28H
InChIKeyPJIGOWJYQUYZQO-UHFFFAOYSA-N
XLogP11.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline
CID 162702048
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563
21-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577832
9-(3-dibenzothiophen-2-ylphenyl)-6-phenylindolo[3,2-b]quinoxaline;9-(4-dibenzothiophen-2-ylphenyl)-6-phenylindolo[3,2-b]quinoxaline;6-phenyl-9-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-b]quinoxaline;6-phenyl-9-[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]indolo[3,2-b]quinoxaline
CID 157223495

Frequently Asked Questions

What is the IUPAC name of 9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline?
The IUPAC name of 9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline (CID 90336687) is 9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline.
What is the SMILES notation for 9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline?
The canonical SMILES for 9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline is c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4nc5ccccc5nc43)cc2)cc1.
What is the InChIKey of 9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline?
The InChIKey is PJIGOWJYQUYZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-3-11-29(12-4-1)30-19-23-34(24-20-30)48-42-26-22-32(28-37(42)43-44(48)46-39-17-9-8-16-38(39)45-43)31-21-25-41-36(27-31)35-15-7-10-18-40(35)47(41)33-13-5-2-6-14-33/h1-28H.
What are the key properties of 9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline?
9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline has a molecular weight of 612.74 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline is sourced from PubChem (CID 90336687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).