5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole

C48H33N3 — CID 90215744

IUPAC5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole
SMILESC1=CC2=NC(c3ccccc3)=C(c3ccc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)cc3)NC2C=C1
InChIInChI=1S/C48H33N3/c1-4-14-32(15-5-1)36-26-29-40-44(30-36)51(45-31-41(33-16-6-2-7-17-33)38-20-10-11-21-39(38)46(40)45)37-27-24-35(25-28-37)48-47(34-18-8-3-9-19-34)49-42-22-12-13-23-43(42)50-48/h1-31,43,50H
InChIKeySASWASGEYDRAAM-UHFFFAOYSA-N
MW651.81 g/mol
LogP11.64
Rot. Bonds5

About 5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole

5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole (PubChem CID 90215744) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is 5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole
PubChem CID90215744
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC Name5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole
SMILESC1=CC2=NC(c3ccccc3)=C(c3ccc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)cc3)NC2C=C1
InChIInChI=1S/C48H33N3/c1-4-14-32(15-5-1)36-26-29-40-44(30-36)51(45-31-41(33-16-6-2-7-17-33)38-20-10-11-21-39(38)46(40)45)37-27-24-35(25-28-37)48-47(34-18-8-3-9-19-34)49-42-22-12-13-23-43(42)50-48/h1-31,43,50H
InChIKeySASWASGEYDRAAM-UHFFFAOYSA-N
XLogP11.64
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 511.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-7-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)benzo[c]carbazole
CID 121356812
N,N-diphenyl-4-[7-phenyl-10-(4-phenyl-1,8a-dihydroquinazolin-2-yl)benzo[c]carbazol-5-yl]aniline
CID 154968774
11-(3-phenyl-4,4a-dihydroquinoxalin-2-yl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene
CID 126700529
5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole
CID 144640327
4-(5,7-diphenylbenzo[g]carbazol-9-yl)pyridine-2-carbonitrile
CID 118397508
16,16,19,19-tetramethyl-12-[4-(3-naphthalen-2-yl-1,8a-dihydroquinoxalin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,7,9,13,15(20)-heptaene
CID 170018249
5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile
CID 118397694
7-[4-(1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-N,N,5-triphenylbenzo[g]carbazol-9-amine
CID 170277579
5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 90269657
9-[3-(5-isocyano-3-pyridinyl)phenyl]-5,7-diphenylbenzo[c]carbazole
CID 140768957
5-[3-[9-[3-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[c]carbazol-5-yl]phenyl]pyridine-3-carbonitrile
CID 118397718
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole?
The IUPAC name of 5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole (CID 90215744) is 5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole.
What is the SMILES notation for 5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole?
The canonical SMILES for 5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole is C1=CC2=NC(c3ccccc3)=C(c3ccc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)cc3)NC2C=C1.
What is the InChIKey of 5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole?
The InChIKey is SASWASGEYDRAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-4-14-32(15-5-1)36-26-29-40-44(30-36)51(45-31-41(33-16-6-2-7-17-33)38-20-10-11-21-39(38)46(40)45)37-27-24-35(25-28-37)48-47(34-18-8-3-9-19-34)49-42-22-12-13-23-43(42)50-48/h1-31,43,50H.
What are the key properties of 5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole?
5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole has a molecular weight of 651.81 g/mol, XLogP of 11.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diphenyl-7-[4-(3-phenyl-1,8a-dihydroquinoxalin-2-yl)phenyl]benzo[c]carbazole is sourced from PubChem (CID 90215744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).