7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline

C40H27N3 — CID 163957549

IUPAC7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline
SMILESCc1c2ccccc2n2c1cnc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)ccc12
InChIInChI=1S/C40H27N3/c1-26-32-11-5-7-13-36(32)43-39-22-18-30(24-35(39)41-25-40(26)43)29-17-21-38-34(23-29)33-12-6-8-14-37(33)42(38)31-19-15-28(16-20-31)27-9-3-2-4-10-27/h2-25H,1H3
InChIKeySESFEIVMCCTUTC-UHFFFAOYSA-N
MW549.68 g/mol
LogP10.38
Rot. Bonds3

About 7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline

7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline (PubChem CID 163957549) has the molecular formula C40H27N3 and a molecular weight of 549.68 g/mol. Its IUPAC name is 7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline
PubChem CID163957549
Molecular FormulaC40H27N3
Molecular Weight549.68 g/mol
Exact Mass549.22
IUPAC Name7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline
SMILESCc1c2ccccc2n2c1cnc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)ccc12
InChIInChI=1S/C40H27N3/c1-26-32-11-5-7-13-36(32)43-39-22-18-30(24-35(39)41-25-40(26)43)29-17-21-38-34(23-29)33-12-6-8-14-37(33)42(38)31-19-15-28(16-20-31)27-9-3-2-4-10-27/h2-25H,1H3
InChIKeySESFEIVMCCTUTC-UHFFFAOYSA-N
XLogP10.38
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.68
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
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
7-[4-(4-carbazol-9-ylphenyl)phenyl]indolo[1,2-a]quinoxaline
CID 145180155
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline?
The IUPAC name of 7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline (CID 163957549) is 7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline?
The canonical SMILES for 7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline is Cc1c2ccccc2n2c1cnc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)ccc12.
What is the InChIKey of 7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline?
The InChIKey is SESFEIVMCCTUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3/c1-26-32-11-5-7-13-36(32)43-39-22-18-30(24-35(39)41-25-40(26)43)29-17-21-38-34(23-29)33-12-6-8-14-37(33)42(38)31-19-15-28(16-20-31)27-9-3-2-4-10-27/h2-25H,1H3.
What are the key properties of 7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline?
7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline has a molecular weight of 549.68 g/mol, XLogP of 10.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[9-(4-phenylphenyl)carbazol-3-yl]indolo[1,2-a]quinoxaline is sourced from PubChem (CID 163957549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).