N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine

C45H33N5 — CID 140933281

IUPACN-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine
SMILESCn1c(-c2cccc(N(c3ccccc3)c3ccc4c(-c5ccccc5)c(-c5ccccc5)n(-c5ccccn5)c4c3)c2)nc2ccccc21
InChIInChI=1S/C45H33N5/c1-48-40-25-12-11-24-39(40)47-45(48)34-20-15-23-36(30-34)49(35-21-9-4-10-22-35)37-27-28-38-41(31-37)50(42-26-13-14-29-46-42)44(33-18-7-3-8-19-33)43(38)32-16-5-2-6-17-32/h2-31H,1H3
InChIKeyANXFFJBGNUHTQO-UHFFFAOYSA-N
MW643.79 g/mol
LogP11.38
Rot. Bonds7

About N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine

N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine (PubChem CID 140933281) has the molecular formula C45H33N5 and a molecular weight of 643.79 g/mol. Its IUPAC name is N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine.

Molecular Properties

Compound NameN-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine
PubChem CID140933281
Molecular FormulaC45H33N5
Molecular Weight643.79 g/mol
Exact Mass643.27
IUPAC NameN-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine
SMILESCn1c(-c2cccc(N(c3ccccc3)c3ccc4c(-c5ccccc5)c(-c5ccccc5)n(-c5ccccn5)c4c3)c2)nc2ccccc21
InChIInChI=1S/C45H33N5/c1-48-40-25-12-11-24-39(40)47-45(48)34-20-15-23-36(30-34)49(35-21-9-4-10-22-35)37-27-28-38-41(31-37)50(42-26-13-14-29-46-42)44(33-18-7-3-8-19-33)43(38)32-16-5-2-6-17-32/h2-31H,1H3
InChIKeyANXFFJBGNUHTQO-UHFFFAOYSA-N
XLogP11.38
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.79
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine
CID 140933293
3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline
CID 58704225
3-[6-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9-pyridin-2-ylcarbazol-3-yl]-N,N-bis(4-methylphenyl)aniline
CID 144565221
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841
N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319
N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884565
[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
CID 140953469
(14,14-diphenyl-10-pyridin-2-yl-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
CID 140954781
9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine
CID 140743280
4-methyl-N,N-diphenylaniline;1-methyl-2-(4-methylphenyl)benzimidazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 160621708
N-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-N-phenyl-3-(1-phenylimidazol-2-yl)aniline
CID 140594023
9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 140884549

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine?
The IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine (CID 140933281) is N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine.
What is the SMILES notation for N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine?
The canonical SMILES for N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine is Cn1c(-c2cccc(N(c3ccccc3)c3ccc4c(-c5ccccc5)c(-c5ccccc5)n(-c5ccccn5)c4c3)c2)nc2ccccc21.
What is the InChIKey of N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine?
The InChIKey is ANXFFJBGNUHTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N5/c1-48-40-25-12-11-24-39(40)47-45(48)34-20-15-23-36(30-34)49(35-21-9-4-10-22-35)37-27-28-38-41(31-37)50(42-26-13-14-29-46-42)44(33-18-7-3-8-19-33)43(38)32-16-5-2-6-17-32/h2-31H,1H3.
What are the key properties of N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine?
N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine has a molecular weight of 643.79 g/mol, XLogP of 11.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine is sourced from PubChem (CID 140933281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).