9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline

C42H27N3 — CID 162702048

IUPAC9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccc4c(c3)c3nc5ccccc5nc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C42H27N3/c1-3-11-28(12-4-1)33-24-34(31-20-19-29-13-7-8-14-30(29)23-31)26-35(25-33)32-21-22-40-37(27-32)41-42(45(40)36-15-5-2-6-16-36)44-39-18-10-9-17-38(39)43-41/h1-27H
InChIKeyKBSGGDHMFGFTOA-UHFFFAOYSA-N
MW573.70 g/mol
LogP10.88
Rot. Bonds4

About 9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline

9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline (PubChem CID 162702048) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline
PubChem CID162702048
Molecular FormulaC42H27N3
Molecular Weight573.70 g/mol
Exact Mass573.22
IUPAC Name9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccc4c(c3)c3nc5ccccc5nc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C42H27N3/c1-3-11-28(12-4-1)33-24-34(31-20-19-29-13-7-8-14-30(29)23-31)26-35(25-33)32-21-22-40-37(27-32)41-42(45(40)36-15-5-2-6-16-36)44-39-18-10-9-17-38(39)43-41/h1-27H
InChIKeyKBSGGDHMFGFTOA-UHFFFAOYSA-N
XLogP10.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline
CID 90336687
6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline
CID 162702020
9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline
CID 162702063
8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline
CID 162701995
14-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene
CID 126577980
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline
CID 162702031
14-(11-phenylbenzo[a]carbazol-8-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene
CID 126577962
2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500817
21-(3,5-diphenylphenyl)-1,3,10,21-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.022,27]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20(28),22,24,26-tetradecaene;21-naphthalen-2-yl-1,3,10,21-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.022,27]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20(28),22,24,26-tetradecaene;21-(4-phenylphenyl)-1,3,10,21-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.022,27]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20(28),22,24,26-tetradecaene;21-phenyl-1,3,10,21-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.020,28.022,27]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20(28),22,24,26-tetradecaene
CID 161051711
6,9-bis(3,5-diphenylphenyl)indolo[3,2-b]quinoxaline;9-(3,5-diphenylphenyl)-6-(5-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline;9-(3,5-diphenylphenyl)-6-(6-phenyl-2-pyridinyl)indolo[3,2-b]quinoxaline
CID 163911559
14-(9-phenylcarbazol-3-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene
CID 126577968

Frequently Asked Questions

What is the IUPAC name of 9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline?
The IUPAC name of 9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline (CID 162702048) is 9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline.
What is the SMILES notation for 9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline?
The canonical SMILES for 9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline is c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccc4c(c3)c3nc5ccccc5nc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline?
The InChIKey is KBSGGDHMFGFTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c1-3-11-28(12-4-1)33-24-34(31-20-19-29-13-7-8-14-30(29)23-31)26-35(25-33)32-21-22-40-37(27-32)41-42(45(40)36-15-5-2-6-16-36)44-39-18-10-9-17-38(39)43-41/h1-27H.
What are the key properties of 9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline?
9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline has a molecular weight of 573.70 g/mol, XLogP of 10.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline is sourced from PubChem (CID 162702048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).