N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine

C47H33N — CID 59282472

IUPACN-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine
SMILESCc1ccc(N(c2ccccc2)c2ccc3cc(-c4cc5cc(-c6ccccc6)c6ccccc6c5c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C47H33N/c1-32-20-25-39(26-21-32)48(38-14-6-3-7-15-38)40-27-24-34-28-36(23-22-35(34)29-40)46-31-37-30-45(33-12-4-2-5-13-33)41-16-8-10-18-43(41)47(37)44-19-11-9-17-42(44)46/h2-31H,1H3
InChIKeyVOJNCUYPCDDOEF-UHFFFAOYSA-N
MW611.79 g/mol
LogP13.41
Rot. Bonds5

About N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine

N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine (PubChem CID 59282472) has the molecular formula C47H33N and a molecular weight of 611.79 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine
PubChem CID59282472
Molecular FormulaC47H33N
Molecular Weight611.79 g/mol
Exact Mass611.26
IUPAC NameN-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine
SMILESCc1ccc(N(c2ccccc2)c2ccc3cc(-c4cc5cc(-c6ccccc6)c6ccccc6c5c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C47H33N/c1-32-20-25-39(26-21-32)48(38-14-6-3-7-15-38)40-27-24-34-28-36(23-22-35(34)29-40)46-31-37-30-45(33-12-4-2-5-13-33)41-16-8-10-18-43(41)47(37)44-19-11-9-17-42(44)46/h2-31H,1H3
InChIKeyVOJNCUYPCDDOEF-UHFFFAOYSA-N
XLogP13.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 513.41
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

7-[5-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]benzo[c]phenanthren-8-yl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-tert-butylphenyl)-6-[5-[6-(N-(4-tert-butylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-6-[5-[6-(N-(4-methylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-6-[5-[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]benzo[c]phenanthren-8-yl]naphthalen-2-amine
CID 159226758
3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167183914
N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine
CID 20685687
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
CID 166917627
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N,N-diphenyl-6-[9-[6-(N-phenylanilino)naphthalen-2-yl]benzo[b]triphenylen-14-yl]naphthalen-2-amine
CID 58855289
N-(4-benzo[c]phenanthren-5-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 167183664
N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine
CID 59282241
N-(3,5-dimethylphenyl)-N,16-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166031874
2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
6-(10-methylanthracen-9-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine
CID 58875999
N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 161406652

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine?
The IUPAC name of N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine (CID 59282472) is N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine?
The canonical SMILES for N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine is Cc1ccc(N(c2ccccc2)c2ccc3cc(-c4cc5cc(-c6ccccc6)c6ccccc6c5c5ccccc45)ccc3c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine?
The InChIKey is VOJNCUYPCDDOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N/c1-32-20-25-39(26-21-32)48(38-14-6-3-7-15-38)40-27-24-34-28-36(23-22-35(34)29-40)46-31-37-30-45(33-12-4-2-5-13-33)41-16-8-10-18-43(41)47(37)44-19-11-9-17-42(44)46/h2-31H,1H3.
What are the key properties of N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine?
N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine has a molecular weight of 611.79 g/mol, XLogP of 13.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine is sourced from PubChem (CID 59282472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).