1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine

C40H32N2 — CID 89265087

IUPAC1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine
SMILESCc1cccc2c(N(C)c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc3)c3ccccc3cc12
InChIInChI=1S/C40H32N2/c1-29-13-11-22-38-39(29)28-32-16-9-10-21-37(32)40(38)41(2)33-23-25-35(26-24-33)42(34-18-7-4-8-19-34)36-20-12-17-31(27-36)30-14-5-3-6-15-30/h3-28H,1-2H3
InChIKeyJUOLXVDTTLUZSI-UHFFFAOYSA-N
MW540.71 g/mol
LogP11.21
Rot. Bonds6

About 1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine

1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine (PubChem CID 89265087) has the molecular formula C40H32N2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine
PubChem CID89265087
Molecular FormulaC40H32N2
Molecular Weight540.71 g/mol
Exact Mass540.26
IUPAC Name1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine
SMILESCc1cccc2c(N(C)c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc3)c3ccccc3cc12
InChIInChI=1S/C40H32N2/c1-29-13-11-22-38-39(29)28-32-16-9-10-21-37(32)40(38)41(2)33-23-25-35(26-24-33)42(34-18-7-4-8-19-34)36-20-12-17-31(27-36)30-14-5-3-6-15-30/h3-28H,1-2H3
InChIKeyJUOLXVDTTLUZSI-UHFFFAOYSA-N
XLogP11.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 511.21
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

1-N-anthracen-9-yl-1-N-methyl-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59431779
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
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-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-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine;N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 160818621
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
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine
CID 59431812
1-N-methyl-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 59431943
N-methyl-N-phenylanthracen-9-amine
CID 22944738
N-methyl-N-(5-methylnaphthalen-2-yl)anthracen-9-amine
CID 144939685
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59431911

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine (CID 89265087) is 1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine is Cc1cccc2c(N(C)c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)cc3)c3ccccc3cc12.
What is the InChIKey of 1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine?
The InChIKey is JUOLXVDTTLUZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2/c1-29-13-11-22-38-39(29)28-32-16-9-10-21-37(32)40(38)41(2)33-23-25-35(26-24-33)42(34-18-7-4-8-19-34)36-20-12-17-31(27-36)30-14-5-3-6-15-30/h3-28H,1-2H3.
What are the key properties of 1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine?
1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine has a molecular weight of 540.71 g/mol, XLogP of 11.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(4-methylanthracen-9-yl)-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 89265087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).