N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine

C47H34N2 — CID 59431968

IUPACN-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine
SMILESCN(c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C47H34N2/c1-48(47-32-39-14-6-7-15-44(39)45-16-8-9-17-46(45)47)40-24-18-35(19-25-40)36-20-26-41(27-21-36)49(42-28-22-33-10-2-4-12-37(33)30-42)43-29-23-34-11-3-5-13-38(34)31-43/h2-32H,1H3
InChIKeyWTOSSQQFKUAVHQ-UHFFFAOYSA-N
MW626.80 g/mol
LogP13.20
Rot. Bonds6

About N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine

N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine (PubChem CID 59431968) has the molecular formula C47H34N2 and a molecular weight of 626.80 g/mol. Its IUPAC name is N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine.

Molecular Properties

Compound NameN-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine
PubChem CID59431968
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC NameN-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine
SMILESCN(c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C47H34N2/c1-48(47-32-39-14-6-7-15-44(39)45-16-8-9-17-46(45)47)40-24-18-35(19-25-40)36-20-26-41(27-21-36)49(42-28-22-33-10-2-4-12-37(33)30-42)43-29-23-34-11-3-5-13-38(34)31-43/h2-32H,1H3
InChIKeyWTOSSQQFKUAVHQ-UHFFFAOYSA-N
XLogP13.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine
CID 59431812
bis(N-methyl-N,4-diphenylaniline);N-methyl-N-phenylaniline;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;N-methyl-N-phenylphenanthren-9-amine;N-methyl-N-(4-phenylphenyl)naphthalen-1-amine;N-methyl-N-(4-phenylphenyl)naphthalen-2-amine;N-methyl-N-(4-phenylphenyl)phenanthren-9-amine;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 159782729
1-N-methyl-1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431801
N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine
CID 59431534
N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine
CID 59690812
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]naphthalen-2-amine
CID 166956443
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine
CID 160725263
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylnaphthalen-2-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 161479413
N-methyl-N-phenylphenanthren-9-amine
CID 22944746
N-methyl-N-(4-phenylphenyl)chrysen-6-amine
CID 139546740
N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine
CID 158426731
N-methyl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]anthracen-9-amine
CID 158787356

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine?
The IUPAC name of N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine (CID 59431968) is N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine.
What is the SMILES notation for N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine?
The canonical SMILES for N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine is CN(c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1)c1cc2ccccc2c2ccccc12.
What is the InChIKey of N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine?
The InChIKey is WTOSSQQFKUAVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2/c1-48(47-32-39-14-6-7-15-44(39)45-16-8-9-17-46(45)47)40-24-18-35(19-25-40)36-20-26-41(27-21-36)49(42-28-22-33-10-2-4-12-37(33)30-42)43-29-23-34-11-3-5-13-38(34)31-43/h2-32H,1H3.
What are the key properties of N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine?
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine has a molecular weight of 626.80 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine is sourced from PubChem (CID 59431968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).