5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole

C44H27N3 — CID 146539824

IUPAC5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc3ccccc3nc2-c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C44H27N3/c1-2-10-28(11-3-1)32-21-23-41-37(26-32)38-25-30-13-4-5-14-31(30)27-42(38)47(41)44-43(45-39-16-8-9-17-40(39)46-44)34-20-22-36-33(24-34)19-18-29-12-6-7-15-35(29)36/h1-27H
InChIKeyGCGBAANHYTZFEQ-UHFFFAOYSA-N
MW597.72 g/mol
LogP11.52
Rot. Bonds3

About 5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole

5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole (PubChem CID 146539824) has the molecular formula C44H27N3 and a molecular weight of 597.72 g/mol. Its IUPAC name is 5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole
PubChem CID146539824
Molecular FormulaC44H27N3
Molecular Weight597.72 g/mol
Exact Mass597.22
IUPAC Name5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc3ccccc3nc2-c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C44H27N3/c1-2-10-28(11-3-1)32-21-23-41-37(26-32)38-25-30-13-4-5-14-31(30)27-42(38)47(41)44-43(45-39-16-8-9-17-40(39)46-44)34-20-22-36-33(24-34)19-18-29-12-6-7-15-35(29)36/h1-27H
InChIKeyGCGBAANHYTZFEQ-UHFFFAOYSA-N
XLogP11.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.72
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114403
2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 155114289
5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole
CID 146540047
5-[3-(4-isocyanophenyl)quinoxalin-2-yl]-2-(4-phenylphenyl)benzo[b]carbazole
CID 153485325
2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375178
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
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole
CID 139361418
7-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163967651
2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
CID 146540295
1-carbazol-9-yl-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114249
9-naphthalen-2-yl-12-[3-[3-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-phenyl-12-[3-(3-phenylphenyl)quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[3-(4-phenylphenyl)quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-(3-phenylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 161319849

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole?
The IUPAC name of 5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole (CID 146539824) is 5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole.
What is the SMILES notation for 5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole?
The canonical SMILES for 5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole is c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2nc3ccccc3nc2-c2ccc3c(ccc4ccccc43)c2)cc1.
What is the InChIKey of 5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole?
The InChIKey is GCGBAANHYTZFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3/c1-2-10-28(11-3-1)32-21-23-41-37(26-32)38-25-30-13-4-5-14-31(30)27-42(38)47(41)44-43(45-39-16-8-9-17-40(39)46-44)34-20-22-36-33(24-34)19-18-29-12-6-7-15-35(29)36/h1-27H.
What are the key properties of 5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole?
5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole has a molecular weight of 597.72 g/mol, XLogP of 11.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole is sourced from PubChem (CID 146539824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).