1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine

C46H36N2 — CID 143684886

IUPAC1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine
SMILESCN(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)=CC1=CC=CC=C(C=2)C1
InChIInChI=1S/C46H36N2/c1-47(46-25-20-40-31-34-10-8-9-11-35(30-34)32-41(40)33-46)42-26-28-45(29-27-42)48(43-21-16-38(17-22-43)36-12-4-2-5-13-36)44-23-18-39(19-24-44)37-14-6-3-7-15-37/h2-29,31-33H,30H2,1H3
InChIKeyOARYTCJXRZXDMQ-UHFFFAOYSA-N
MW616.81 g/mol
LogP10.65
Rot. Bonds7

About 1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine

1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine (PubChem CID 143684886) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is 1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine
PubChem CID143684886
Molecular FormulaC46H36N2
Molecular Weight616.81 g/mol
Exact Mass616.29
IUPAC Name1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine
SMILESCN(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)=CC1=CC=CC=C(C=2)C1
InChIInChI=1S/C46H36N2/c1-47(46-25-20-40-31-34-10-8-9-11-35(30-34)32-41(40)33-46)42-26-28-45(29-27-42)48(43-21-16-38(17-22-43)36-12-4-2-5-13-36)44-23-18-39(19-24-44)37-14-6-3-7-15-37/h2-29,31-33H,30H2,1H3
InChIKeyOARYTCJXRZXDMQ-UHFFFAOYSA-N
XLogP10.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[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-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anthracen-2-amine
CID 59431583
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N,4-N,4-N-trinaphthalen-2-ylbenzene-1,4-diamine
CID 159683309
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 59431625
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59431911
1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 88873176
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine (CID 143684886) is 1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine is CN(c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1)c1ccc2c(c1)=CC1=CC=CC=C(C=2)C1.
What is the InChIKey of 1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine?
The InChIKey is OARYTCJXRZXDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2/c1-47(46-25-20-40-31-34-10-8-9-11-35(30-34)32-41(40)33-46)42-26-28-45(29-27-42)48(43-21-16-38(17-22-43)36-12-4-2-5-13-36)44-23-18-39(19-24-44)37-14-6-3-7-15-37/h2-29,31-33H,30H2,1H3.
What are the key properties of 1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine?
1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine has a molecular weight of 616.81 g/mol, XLogP of 10.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N,4-N-bis(4-phenylphenyl)-1-N-(5-tricyclo[8.4.1.03,8]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)benzene-1,4-diamine is sourced from PubChem (CID 143684886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).