2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol

C38H30N4O — CID 176843445

IUPAC2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol
SMILESNCN1CN(c2cc(-n3c4c(-c5ccccc5)cccc4c4cccc(-c5ccccc5)c43)ccc2O)c2ccccc21
InChIInChI=1S/C38H30N4O/c39-24-40-25-41(34-20-8-7-19-33(34)40)35-23-28(21-22-36(35)43)42-37-29(26-11-3-1-4-12-26)15-9-17-31(37)32-18-10-16-30(38(32)42)27-13-5-2-6-14-27/h1-23,43H,24-25,39H2
InChIKeyHETMVOBLLFGENJ-UHFFFAOYSA-N
MW558.69 g/mol
LogP8.66
Rot. Bonds5

About 2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol

2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol (PubChem CID 176843445) has the molecular formula C38H30N4O and a molecular weight of 558.69 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol.

Molecular Properties

Compound Name2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol
PubChem CID176843445
Molecular FormulaC38H30N4O
Molecular Weight558.69 g/mol
Exact Mass558.24
IUPAC Name2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol
SMILESNCN1CN(c2cc(-n3c4c(-c5ccccc5)cccc4c4cccc(-c5ccccc5)c43)ccc2O)c2ccccc21
InChIInChI=1S/C38H30N4O/c39-24-40-25-41(34-20-8-7-19-33(34)40)35-23-28(21-22-36(35)43)42-37-29(26-11-3-1-4-12-26)15-9-17-31(37)32-18-10-16-30(38(32)42)27-13-5-2-6-14-27/h1-23,43H,24-25,39H2
InChIKeyHETMVOBLLFGENJ-UHFFFAOYSA-N
XLogP8.66
TPSA57.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.69
LogP ≤ 58.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide
CID 123203874
2-Amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol
CID 118185068
2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol
CID 130250523
4-[3-[9-(3-Carbazol-9-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenol
CID 130351801
2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]-N-methylanilino]ethyl]-4-methylphenol
CID 134219198
2-[2-[Aminomethyl-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl]amino]ethyl]-6-carbazol-9-yl-4-methylphenol
CID 137473981
2-Carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol
CID 142278778
4-(N-[3,5-bis(3,6-dimethylcarbazol-9-yl)phenyl]-4-hydroxyanilino)phenol
CID 142751444
4-(N-[3,5-bis(3,6-diphenylcarbazol-9-yl)phenyl]-4-hydroxyanilino)phenol
CID 142751449
2-[[2-[[(2-Amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol
CID 144762645
2-Amino-4-carbazol-9-ylphenol
CID 146221532
2,6-Di(carbazol-9-yl)phenol
CID 163829206

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol?
The IUPAC name of 2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol (CID 176843445) is 2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol.
What is the SMILES notation for 2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol?
The canonical SMILES for 2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol is NCN1CN(c2cc(-n3c4c(-c5ccccc5)cccc4c4cccc(-c5ccccc5)c43)ccc2O)c2ccccc21.
What is the InChIKey of 2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol?
The InChIKey is HETMVOBLLFGENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4O/c39-24-40-25-41(34-20-8-7-19-33(34)40)35-23-28(21-22-36(35)43)42-37-29(26-11-3-1-4-12-26)15-9-17-31(37)32-18-10-16-30(38(32)42)27-13-5-2-6-14-27/h1-23,43H,24-25,39H2.
What are the key properties of 2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol?
2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol has a molecular weight of 558.69 g/mol, XLogP of 8.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol is sourced from PubChem (CID 176843445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).