2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole

C54H34N4 — CID 155114403

IUPAC2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc4ccccc4nc3-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc5ccccc5cc43)c2)cc1
InChIInChI=1S/C54H34N4/c1-3-14-35(15-4-1)36-18-13-19-41(30-36)53-54(56-48-24-11-10-23-47(48)55-53)58-51-29-27-40(33-45(51)46-31-37-16-7-8-17-38(37)34-52(46)58)39-26-28-50-44(32-39)43-22-9-12-25-49(43)57(50)42-20-5-2-6-21-42/h1-34H
InChIKeyJYPZKFHRMLOEMF-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.98
Rot. Bonds5

About 2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole

2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole (PubChem CID 155114403) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
PubChem CID155114403
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc4ccccc4nc3-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc5ccccc5cc43)c2)cc1
InChIInChI=1S/C54H34N4/c1-3-14-35(15-4-1)36-18-13-19-41(30-36)53-54(56-48-24-11-10-23-47(48)55-53)58-51-29-27-40(33-45(51)46-31-37-16-7-8-17-38(37)34-52(46)58)39-26-28-50-44(32-39)43-22-9-12-25-49(43)57(50)42-20-5-2-6-21-42/h1-34H
InChIKeyJYPZKFHRMLOEMF-UHFFFAOYSA-N
XLogP13.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole
CID 146539824
2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 155114289
5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 139361945
1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114249
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563
2-dibenzofuran-4-yl-5-[3-(5-phenylbenzo[b]carbazol-8-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 147851338
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
25-(7,9-diphenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-naphthalen-2-ylcarbazol-2-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene;25-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2,4,6,8,10,12,14,16,18,20,22(29),23(28),24,26-tetradecaene
CID 159144068
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375178
15-[6-[3-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)quinoxalin-2-yl]-9-phenylcarbazol-2-yl]-3-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1,4,6,8,10,12(30),13(18),14,16,20,22,24,26,28-tetradecaene
CID 138708919

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The IUPAC name of 2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole (CID 155114403) is 2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The canonical SMILES for 2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc4ccccc4nc3-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc5ccccc5cc43)c2)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The InChIKey is JYPZKFHRMLOEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-3-14-35(15-4-1)36-18-13-19-41(30-36)53-54(56-48-24-11-10-23-47(48)55-53)58-51-29-27-40(33-45(51)46-31-37-16-7-8-17-38(37)34-52(46)58)39-26-28-50-44(32-39)43-22-9-12-25-49(43)57(50)42-20-5-2-6-21-42/h1-34H.
What are the key properties of 2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole has a molecular weight of 738.89 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 155114403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).