9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole

C36H25N3 — CID 121356812

IUPAC9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole
SMILESC1=CC2=NC(n3c4cc(-c5ccccc5)ccc4c4c5ccccc5ccc43)=C(c3ccccc3)NC2C=C1
InChIInChI=1S/C36H25N3/c1-3-11-24(12-4-1)27-19-21-29-33(23-27)39(32-22-20-25-13-7-8-16-28(25)34(29)32)36-35(26-14-5-2-6-15-26)37-30-17-9-10-18-31(30)38-36/h1-23,30,37H
InChIKeyMQIKHZOSRYLOEB-UHFFFAOYSA-N
MW499.62 g/mol
LogP8.44
Rot. Bonds3

About 9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole

9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole (PubChem CID 121356812) has the molecular formula C36H25N3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole
PubChem CID121356812
Molecular FormulaC36H25N3
Molecular Weight499.62 g/mol
Exact Mass499.20
IUPAC Name9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole
SMILESC1=CC2=NC(n3c4cc(-c5ccccc5)ccc4c4c5ccccc5ccc43)=C(c3ccccc3)NC2C=C1
InChIInChI=1S/C36H25N3/c1-3-11-24(12-4-1)27-19-21-29-33(23-27)39(32-22-20-25-13-7-8-16-28(25)34(29)32)36-35(26-14-5-2-6-15-26)37-30-17-9-10-18-31(30)38-36/h1-23,30,37H
InChIKeyMQIKHZOSRYLOEB-UHFFFAOYSA-N
XLogP8.44
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole
CID 90215744
13-(3-phenylquinoxalin-2-yl)-13,18,25-triazaoctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17(26),18,20,22,27,29-tetradecaene
CID 163559825
7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole
CID 90269684
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline
CID 145362201
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole;7-phenyl-3-(7-phenylbenzo[g]carbazol-9-yl)benzo[c]carbazole
CID 159885247
7-[4-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)phenyl]-3-phenanthren-2-ylbenzo[c]carbazole
CID 137214905
7-[3-benzo[c]carbazol-7-yl-5-[2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 137239721
15-(4-phenyl-1,2,3,8a-tetrahydroquinazolin-2-yl)-1,15-diazanonacyclo[23.10.1.02,18.04,16.05,14.06,11.019,24.029,36.030,35]hexatriaconta-2(18),3,5(14),6,8,10,12,16,19,21,23,25,27,29(36),30,32,34-heptadecaene
CID 126700469
N-(4-benzo[c]carbazol-7-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[c]carbazol-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 159709089
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole?
The IUPAC name of 9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole (CID 121356812) is 9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole?
The canonical SMILES for 9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole is C1=CC2=NC(n3c4cc(-c5ccccc5)ccc4c4c5ccccc5ccc43)=C(c3ccccc3)NC2C=C1.
What is the InChIKey of 9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole?
The InChIKey is MQIKHZOSRYLOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3/c1-3-11-24(12-4-1)27-19-21-29-33(23-27)39(32-22-20-25-13-7-8-16-28(25)34(29)32)36-35(26-14-5-2-6-15-26)37-30-17-9-10-18-31(30)38-36/h1-23,30,37H.
What are the key properties of 9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole?
9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole has a molecular weight of 499.62 g/mol, XLogP of 8.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 121356812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).