N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine

C53H37N — CID 59308779

IUPACN-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
SMILESCc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C53H37N/c1-36-25-28-42(29-26-36)54(43-30-27-37-15-11-12-22-41(37)33-43)44-31-32-47-50(34-44)45-23-13-14-24-46(45)52-49(39-18-7-3-8-19-39)35-48(38-16-5-2-6-17-38)51(53(47)52)40-20-9-4-10-21-40/h2-35H,1H3
InChIKeyKBRMDCAJQXJYEK-UHFFFAOYSA-N
MW687.89 g/mol
LogP15.08
Rot. Bonds6

About N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine

N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine (PubChem CID 59308779) has the molecular formula C53H37N and a molecular weight of 687.89 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
PubChem CID59308779
Molecular FormulaC53H37N
Molecular Weight687.89 g/mol
Exact Mass687.29
IUPAC NameN-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
SMILESCc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1
InChIInChI=1S/C53H37N/c1-36-25-28-42(29-26-36)54(43-30-27-37-15-11-12-22-41(37)33-43)44-31-32-47-50(34-44)45-23-13-14-24-46(45)52-49(39-18-7-3-8-19-39)35-48(38-16-5-2-6-17-38)51(53(47)52)40-20-9-4-10-21-40/h2-35H,1H3
InChIKeyKBRMDCAJQXJYEK-UHFFFAOYSA-N
XLogP15.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.89
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307963
N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59308764
N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
N-(4-methoxyphenyl)-N-(4-methylphenyl)-5,6,8-triphenyltriphenylen-2-amine
CID 59308060
N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-10-naphthalen-2-yl-3-phenyl-7-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]phenyl]-N-(4-methylphenyl)aniline
CID 59307663
4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
CID 59307953
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307671
4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline
CID 59308621
N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine
CID 59308519
N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine
CID 159285564

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine?
The IUPAC name of N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine (CID 59308779) is N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine?
The canonical SMILES for N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine is Cc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(c2)c2ccccc2c2c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c32)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine?
The InChIKey is KBRMDCAJQXJYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N/c1-36-25-28-42(29-26-36)54(43-30-27-37-15-11-12-22-41(37)33-43)44-31-32-47-50(34-44)45-23-13-14-24-46(45)52-49(39-18-7-3-8-19-39)35-48(38-16-5-2-6-17-38)51(53(47)52)40-20-9-4-10-21-40/h2-35H,1H3.
What are the key properties of N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine?
N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine has a molecular weight of 687.89 g/mol, XLogP of 15.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine is sourced from PubChem (CID 59308779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).