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

C47H34N2 — CID 59431812

IUPACN-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine
SMILESCN(c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C47H34N2/c1-48(47-45-16-8-6-14-39(45)30-40-15-7-9-17-46(40)47)41-24-18-35(19-25-41)36-20-26-42(27-21-36)49(43-28-22-33-10-2-4-12-37(33)31-43)44-29-23-34-11-3-5-13-38(34)32-44/h2-32H,1H3
InChIKeyKFQMODGGQRYEAF-UHFFFAOYSA-N
MW626.80 g/mol
LogP13.20
Rot. Bonds6

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

N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine (PubChem CID 59431812) 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-methylanthracen-9-amine.

Molecular Properties

Compound NameN-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine
PubChem CID59431812
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC NameN-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine
SMILESCN(c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C47H34N2/c1-48(47-45-16-8-6-14-39(45)30-40-15-7-9-17-46(40)47)41-24-18-35(19-25-41)36-20-26-42(27-21-36)49(43-28-22-33-10-2-4-12-37(33)31-43)44-29-23-34-11-3-5-13-38(34)32-44/h2-32H,1H3
InChIKeyKFQMODGGQRYEAF-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_2', 'substructure': 'N/A'}

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Related Compounds

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
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
1-N-anthracen-2-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-phenyl-1-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 159221437
1-N-anthracen-9-yl-1-N-methyl-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59431779
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylphenanthren-9-amine
CID 59431968
1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine
CID 158312498
N-methyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anthracen-9-amine;N-methyl-3-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N-methyl-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 158086380
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
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-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-2-amine;N-methyl-4-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 158523438
N-methyl-N-phenylanthracen-9-amine
CID 22944738
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine?
The IUPAC name of N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine (CID 59431812) is N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine.
What is the SMILES notation for N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine?
The canonical SMILES for N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine is CN(c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1)c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine?
The InChIKey is KFQMODGGQRYEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2/c1-48(47-45-16-8-6-14-39(45)30-40-15-7-9-17-46(40)47)41-24-18-35(19-25-41)36-20-26-42(27-21-36)49(43-28-22-33-10-2-4-12-37(33)31-43)44-29-23-34-11-3-5-13-38(34)32-44/h2-32H,1H3.
What are the key properties of N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine?
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-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-methylanthracen-9-amine is sourced from PubChem (CID 59431812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).