8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline

C48H31N3 — CID 162701995

IUPAC8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5nc6ccccc6nc5n(-c5ccc6cc(-c7ccccc7)ccc6c5)c4c3)c2)cc1
InChIInChI=1S/C48H31N3/c1-4-12-32(13-5-1)35-20-21-37-30-42(24-22-36(37)26-35)51-46-31-38(23-25-43(46)47-48(51)50-45-19-11-10-18-44(45)49-47)41-28-39(33-14-6-2-7-15-33)27-40(29-41)34-16-8-3-9-17-34/h1-31H
InChIKeyUFHDJTXKMIDYBB-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.55
Rot. Bonds5

About 8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline

8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline (PubChem CID 162701995) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline
PubChem CID162701995
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5nc6ccccc6nc5n(-c5ccc6cc(-c7ccccc7)ccc6c5)c4c3)c2)cc1
InChIInChI=1S/C48H31N3/c1-4-12-32(13-5-1)35-20-21-37-30-42(24-22-36(37)26-35)51-46-31-38(23-25-43(46)47-48(51)50-45-19-11-10-18-44(45)49-47)41-28-39(33-14-6-2-7-15-33)27-40(29-41)34-16-8-3-9-17-34/h1-31H
InChIKeyUFHDJTXKMIDYBB-UHFFFAOYSA-N
XLogP12.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline
CID 162702048
9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline
CID 162702063
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
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
2-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(3-phenylphenyl)phenyl]-6-phenylindolo[2,3-b]quinoxaline
CID 162702031
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
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
9,14-dinaphthalen-2-yl-6-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 170927996
2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 170236214
6-[2-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509081
3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
CID 87414645

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline?
The IUPAC name of 8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline (CID 162701995) is 8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline.
What is the SMILES notation for 8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline?
The canonical SMILES for 8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5nc6ccccc6nc5n(-c5ccc6cc(-c7ccccc7)ccc6c5)c4c3)c2)cc1.
What is the InChIKey of 8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline?
The InChIKey is UFHDJTXKMIDYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-4-12-32(13-5-1)35-20-21-37-30-42(24-22-36(37)26-35)51-46-31-38(23-25-43(46)47-48(51)50-45-19-11-10-18-44(45)49-47)41-28-39(33-14-6-2-7-15-33)27-40(29-41)34-16-8-3-9-17-34/h1-31H.
What are the key properties of 8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline?
8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline has a molecular weight of 649.80 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline is sourced from PubChem (CID 162701995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).