11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole

C48H30N4 — CID 155114491

IUPAC11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C48H30N4/c1-3-14-32(15-4-1)46-48(50-42-21-11-10-20-41(42)49-46)52-43-22-12-9-19-37(43)39-29-33(25-28-45(39)52)34-24-27-44-40(30-34)38-26-23-31-13-7-8-18-36(31)47(38)51(44)35-16-5-2-6-17-35/h1-30H
InChIKeyRTYJNOMKBCIRDN-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.31
Rot. Bonds4

About 11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole

11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole (PubChem CID 155114491) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole.

Molecular Properties

Compound Name11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
PubChem CID155114491
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C48H30N4/c1-3-14-32(15-4-1)46-48(50-42-21-11-10-20-41(42)49-46)52-43-22-12-9-19-37(43)39-29-33(25-28-45(39)52)34-24-27-44-40(30-34)38-26-23-31-13-7-8-18-36(31)47(38)51(44)35-16-5-2-6-17-35/h1-30H
InChIKeyRTYJNOMKBCIRDN-UHFFFAOYSA-N
XLogP12.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]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-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-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
CID 130233283
11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole
CID 145158965
2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114403
12-(3-phenanthren-9-ylquinoxalin-2-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 139322531
12-(3,6-diphenylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3,7-diphenylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-phenylquinoxalin-2-yl)-11-triphenylen-2-ylindolo[2,3-a]carbazole
CID 159784735
5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole
CID 146539824
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
20-(11-phenylbenzo[a]carbazol-9-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),23,25,27-tetradecaene;20-(5-phenylbenzo[b]carbazol-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),23,25,27-tetradecaene;20-(7-phenylbenzo[g]carbazol-9-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),23,25,27-tetradecaene
CID 159486049
7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole
CID 155114239
9-benzo[a]carbazol-11-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole
CID 163508153
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

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole?
The IUPAC name of 11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole (CID 155114491) is 11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole.
What is the SMILES notation for 11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole?
The canonical SMILES for 11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole is c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole?
The InChIKey is RTYJNOMKBCIRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-3-14-32(15-4-1)46-48(50-42-21-11-10-20-41(42)49-46)52-43-22-12-9-19-37(43)39-29-33(25-28-45(39)52)34-24-27-44-40(30-34)38-26-23-31-13-7-8-18-36(31)47(38)51(44)35-16-5-2-6-17-35/h1-30H.
What are the key properties of 11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole?
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole has a molecular weight of 662.80 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole is sourced from PubChem (CID 155114491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).