N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine

C46H33N5 — CID 90198454

IUPACN-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine
SMILESCc1ccccc1N(c1ccc(-c2cnc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cn2)cc1)c1cccc2ccccc12
InChIInChI=1S/C46H33N5/c1-32-12-5-9-19-43(32)50(44-21-11-14-33-13-6-7-17-39(33)44)38-28-26-35(27-29-38)42-31-47-41(30-48-42)34-22-24-36(25-23-34)46-49-40-18-8-10-20-45(40)51(46)37-15-3-2-4-16-37/h2-31H,1H3
InChIKeyCFPLWZIUFMPJRV-UHFFFAOYSA-N
MW655.81 g/mol
LogP11.75
Rot. Bonds7

About N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine

N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine (PubChem CID 90198454) has the molecular formula C46H33N5 and a molecular weight of 655.81 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine
PubChem CID90198454
Molecular FormulaC46H33N5
Molecular Weight655.81 g/mol
Exact Mass655.27
IUPAC NameN-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine
SMILESCc1ccccc1N(c1ccc(-c2cnc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cn2)cc1)c1cccc2ccccc12
InChIInChI=1S/C46H33N5/c1-32-12-5-9-19-43(32)50(44-21-11-14-33-13-6-7-17-39(33)44)38-28-26-35(27-29-38)42-31-47-41(30-48-42)34-22-24-36(25-23-34)46-49-40-18-8-10-20-45(40)51(46)37-15-3-2-4-16-37/h2-31H,1H3
InChIKeyCFPLWZIUFMPJRV-UHFFFAOYSA-N
XLogP11.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.81
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine
CID 90198233
CID 158442796
CID 158442796
N,N-diphenyl-4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]aniline;methane;4-[4-[5-methyl-6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]-N,N-diphenylaniline;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-[6-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-3-pyridinyl]phenyl]phenyl]naphthalen-2-amine
CID 159696511
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
3-N,6-N-dinaphthalen-1-yl-9-[4-[N-naphthalen-1-yl-4-(1-phenylbenzimidazol-2-yl)anilino]phenyl]-3-N,6-N-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole-3,6-diamine;3-N,6-N-diphenyl-3-N,6-N-bis(5-phenylthiophen-2-yl)-9-[4-(N-(5-phenylthiophen-2-yl)anilino)phenyl]carbazole-3,6-diamine
CID 158544695
N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine
CID 123395445
N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122425024
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 163796534
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline
CID 71143072

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine?
The IUPAC name of N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine (CID 90198454) is N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine is Cc1ccccc1N(c1ccc(-c2cnc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cn2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine?
The InChIKey is CFPLWZIUFMPJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N5/c1-32-12-5-9-19-43(32)50(44-21-11-14-33-13-6-7-17-39(33)44)38-28-26-35(27-29-38)42-31-47-41(30-48-42)34-22-24-36(25-23-34)46-49-40-18-8-10-20-45(40)51(46)37-15-3-2-4-16-37/h2-31H,1H3.
What are the key properties of N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine?
N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine has a molecular weight of 655.81 g/mol, XLogP of 11.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 90198454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).