N,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine

C49H32N4S — CID 129086530

IUPACN,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc4c(cc2n3-c2ccc(-c3nc5ccccc5n3-c3ccccc3)cc2)sc2ccccc24)cc1
InChIInChI=1S/C49H32N4S/c1-4-14-34(15-5-1)51(35-16-6-2-7-17-35)38-28-29-44-40(30-38)41-31-42-39-20-10-13-23-47(39)54-48(42)32-46(41)52(44)37-26-24-33(25-27-37)49-50-43-21-11-12-22-45(43)53(49)36-18-8-3-9-19-36/h1-32H
InChIKeyUQHHGWABINFFTF-UHFFFAOYSA-N
MW708.89 g/mol
LogP13.63
Rot. Bonds6

About N,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine

N,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine (PubChem CID 129086530) has the molecular formula C49H32N4S and a molecular weight of 708.89 g/mol. Its IUPAC name is N,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine.

Molecular Properties

Compound NameN,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine
PubChem CID129086530
Molecular FormulaC49H32N4S
Molecular Weight708.89 g/mol
Exact Mass708.23
IUPAC NameN,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc4c(cc2n3-c2ccc(-c3nc5ccccc5n3-c3ccccc3)cc2)sc2ccccc24)cc1
InChIInChI=1S/C49H32N4S/c1-4-14-34(15-5-1)51(35-16-6-2-7-17-35)38-28-29-44-40(30-38)41-31-42-39-20-10-13-23-47(39)54-48(42)32-46(41)52(44)37-26-24-33(25-27-37)49-50-43-21-11-12-22-45(43)53(49)36-18-8-3-9-19-36/h1-32H
InChIKeyUQHHGWABINFFTF-UHFFFAOYSA-N
XLogP13.63
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.89
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine?
The IUPAC name of N,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine (CID 129086530) is N,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine.
What is the SMILES notation for N,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine?
The canonical SMILES for N,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc4c(cc2n3-c2ccc(-c3nc5ccccc5n3-c3ccccc3)cc2)sc2ccccc24)cc1.
What is the InChIKey of N,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine?
The InChIKey is UQHHGWABINFFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4S/c1-4-14-34(15-5-1)51(35-16-6-2-7-17-35)38-28-29-44-40(30-38)41-31-42-39-20-10-13-23-47(39)54-48(42)32-46(41)52(44)37-26-24-33(25-27-37)49-50-43-21-11-12-22-45(43)53(49)36-18-8-3-9-19-36/h1-32H.
What are the key properties of N,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine?
N,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine has a molecular weight of 708.89 g/mol, XLogP of 13.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-7-[4-(1-phenylbenzimidazol-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazol-10-amine is sourced from PubChem (CID 129086530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).