5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole

C49H30N2 — CID 134552720

IUPAC5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C49H30N2/c1-2-14-31(15-3-1)42-30-47(50-45-24-12-10-22-40(42)45)51-46-25-13-11-23-41(46)44-28-32-16-4-5-17-34(32)48(49(44)51)33-26-27-39-37-20-7-6-18-35(37)36-19-8-9-21-38(36)43(39)29-33/h1-30H
InChIKeyURVHPVJIQIAAPV-UHFFFAOYSA-N
MW646.79 g/mol
LogP13.28
Rot. Bonds3

About 5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole

5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole (PubChem CID 134552720) has the molecular formula C49H30N2 and a molecular weight of 646.79 g/mol. Its IUPAC name is 5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole.

Molecular Properties

Compound Name5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole
PubChem CID134552720
Molecular FormulaC49H30N2
Molecular Weight646.79 g/mol
Exact Mass646.24
IUPAC Name5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C49H30N2/c1-2-14-31(15-3-1)42-30-47(50-45-24-12-10-22-40(42)45)51-46-25-13-11-23-41(46)44-28-32-16-4-5-17-34(32)48(49(44)51)33-26-27-39-37-20-7-6-18-35(37)36-19-8-9-21-38(36)43(39)29-33/h1-30H
InChIKeyURVHPVJIQIAAPV-UHFFFAOYSA-N
XLogP13.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552483
5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole
CID 71291270
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552522
22-(4-phenylquinolin-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212459
6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
CID 134552559
5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole
CID 145313284
6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 134552523
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 134552606
5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552532
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole
CID 134552473
6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 134552694
6-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]-1-[4-[4-[3-[5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazol-6-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole
CID 134556124

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole?
The IUPAC name of 5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole (CID 134552720) is 5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole.
What is the SMILES notation for 5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole?
The canonical SMILES for 5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc5ccccc5c(-c5ccc6c7ccccc7c7ccccc7c6c5)c43)nc3ccccc23)cc1.
What is the InChIKey of 5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole?
The InChIKey is URVHPVJIQIAAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2/c1-2-14-31(15-3-1)42-30-47(50-45-24-12-10-22-40(42)45)51-46-25-13-11-23-41(46)44-28-32-16-4-5-17-34(32)48(49(44)51)33-26-27-39-37-20-7-6-18-35(37)36-19-8-9-21-38(36)43(39)29-33/h1-30H.
What are the key properties of 5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole?
5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole has a molecular weight of 646.79 g/mol, XLogP of 13.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole is sourced from PubChem (CID 134552720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).