2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole

C49H31N3 — CID 163742367

IUPAC2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole
SMILESc1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc6[nH]c7cc8ccccc8cc7c6c5)c5ccccc45)cc3)nc3ccccc32)cc1
InChIInChI=1S/C49H31N3/c1-2-14-36(15-3-1)52-46-21-11-10-20-44(46)51-49(52)32-24-22-31(23-25-32)47-37-16-6-8-18-39(37)48(40-19-9-7-17-38(40)47)35-26-27-43-41(29-35)42-28-33-12-4-5-13-34(33)30-45(42)50-43/h1-30,50H
InChIKeyLIWXGVCIEJOTNZ-UHFFFAOYSA-N
MW661.81 g/mol
LogP13.12
Rot. Bonds4

About 2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole

2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole (PubChem CID 163742367) has the molecular formula C49H31N3 and a molecular weight of 661.81 g/mol. Its IUPAC name is 2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole.

Molecular Properties

Compound Name2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole
PubChem CID163742367
Molecular FormulaC49H31N3
Molecular Weight661.81 g/mol
Exact Mass661.25
IUPAC Name2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole
SMILESc1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc6[nH]c7cc8ccccc8cc7c6c5)c5ccccc45)cc3)nc3ccccc32)cc1
InChIInChI=1S/C49H31N3/c1-2-14-36(15-3-1)52-46-21-11-10-20-44(46)51-49(52)32-24-22-31(23-25-32)47-37-16-6-8-18-39(37)48(40-19-9-7-17-38(40)47)35-26-27-43-41(29-35)42-28-33-12-4-5-13-34(33)30-45(42)50-43/h1-30,50H
InChIKeyLIWXGVCIEJOTNZ-UHFFFAOYSA-N
XLogP13.12
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.81
LogP ≤ 513.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58876120
2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827456
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
2-[9-naphthalen-2-yl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]benzene-1,3-diol
CID 90380743
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448

Frequently Asked Questions

What is the IUPAC name of 2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole?
The IUPAC name of 2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole (CID 163742367) is 2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole.
What is the SMILES notation for 2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole?
The canonical SMILES for 2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole is c1ccc(-n2c(-c3ccc(-c4c5ccccc5c(-c5ccc6[nH]c7cc8ccccc8cc7c6c5)c5ccccc45)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole?
The InChIKey is LIWXGVCIEJOTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3/c1-2-14-36(15-3-1)52-46-21-11-10-20-44(46)51-49(52)32-24-22-31(23-25-32)47-37-16-6-8-18-39(37)48(40-19-9-7-17-38(40)47)35-26-27-43-41(29-35)42-28-33-12-4-5-13-34(33)30-45(42)50-43/h1-30,50H.
What are the key properties of 2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole?
2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole has a molecular weight of 661.81 g/mol, XLogP of 13.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole is sourced from PubChem (CID 163742367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).