9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine

C38H33N — CID 59575076

IUPAC9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine
SMILESCc1ccc(/C=C/c2ccc3c(C)c(C)c4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4c3c2)cc1
InChIInChI=1S/C38H33N/c1-26-10-14-30(15-11-26)16-17-31-18-22-35-28(3)29(4)36-23-21-34(25-38(36)37(35)24-31)39(32-8-6-5-7-9-32)33-19-12-27(2)13-20-33/h5-25H,1-4H3/b17-16+
InChIKeyMPSGEDAUBREGDM-WUKNDPDISA-N
MW503.69 g/mol
LogP10.87
Rot. Bonds5

About 9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine

9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine (PubChem CID 59575076) has the molecular formula C38H33N and a molecular weight of 503.69 g/mol. Its IUPAC name is 9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine.

Molecular Properties

Compound Name9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine
PubChem CID59575076
Molecular FormulaC38H33N
Molecular Weight503.69 g/mol
Exact Mass503.26
IUPAC Name9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine
SMILESCc1ccc(/C=C/c2ccc3c(C)c(C)c4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4c3c2)cc1
InChIInChI=1S/C38H33N/c1-26-10-14-30(15-11-26)16-17-31-18-22-35-28(3)29(4)36-23-21-34(25-38(36)37(35)24-31)39(32-8-6-5-7-9-32)33-19-12-27(2)13-20-33/h5-25H,1-4H3/b17-16+
InChIKeyMPSGEDAUBREGDM-WUKNDPDISA-N
XLogP10.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783
3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-N-[3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 118136756
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-methyl-N-[4-[(Z)-2-[6-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]-9,10-bis(trifluoromethyl)phenanthren-3-yl]ethenyl]phenyl]-N-phenylaniline
CID 152845856
2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
CID 20733869
2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile
CID 89372299
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3,5-triamine
CID 121421564
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]phenyl]aniline
CID 89314584
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
4-[(E)-2-[9,10-diphenyl-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthren-3-yl]ethenyl]-N,N-diphenylaniline
CID 88888011
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59920498

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine?
The IUPAC name of 9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine (CID 59575076) is 9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine.
What is the SMILES notation for 9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine?
The canonical SMILES for 9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine is Cc1ccc(/C=C/c2ccc3c(C)c(C)c4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4c3c2)cc1.
What is the InChIKey of 9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine?
The InChIKey is MPSGEDAUBREGDM-WUKNDPDISA-N. The full InChI is InChI=1S/C38H33N/c1-26-10-14-30(15-11-26)16-17-31-18-22-35-28(3)29(4)36-23-21-34(25-38(36)37(35)24-31)39(32-8-6-5-7-9-32)33-19-12-27(2)13-20-33/h5-25H,1-4H3/b17-16+.
What are the key properties of 9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine?
9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine has a molecular weight of 503.69 g/mol, XLogP of 10.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine is sourced from PubChem (CID 59575076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).