2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine

C47H40N2 — CID 142508119

IUPAC2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC=c1cccc/c1=C(C(\C)=C/C)/N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3c(C)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C47H40N2/c1-5-34(2)46(44-22-14-12-16-35(44)3)48(40-18-8-6-9-19-40)42-30-26-37(27-31-42)38-28-32-43(33-29-38)49(41-20-10-7-11-21-41)47-36(4)24-25-39-17-13-15-23-45(39)47/h5-33H,3H2,1-2,4H3/b34-5-,46-44+
InChIKeyCXQPDTRIZMDGIE-JMWXEBEKSA-N
MW632.85 g/mol
LogP11.61
Rot. Bonds8

About 2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine

2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 142508119) has the molecular formula C47H40N2 and a molecular weight of 632.85 g/mol. Its IUPAC name is 2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID142508119
Molecular FormulaC47H40N2
Molecular Weight632.85 g/mol
Exact Mass632.32
IUPAC Name2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC=c1cccc/c1=C(C(\C)=C/C)/N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3c(C)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C47H40N2/c1-5-34(2)46(44-22-14-12-16-35(44)3)48(40-18-8-6-9-19-40)42-30-26-37(27-31-42)38-28-32-43(33-29-38)49(41-20-10-7-11-21-41)47-36(4)24-25-39-17-13-15-23-45(39)47/h5-33H,3H2,1-2,4H3/b34-5-,46-44+
InChIKeyCXQPDTRIZMDGIE-JMWXEBEKSA-N
XLogP11.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.85
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

2-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 166990192
2-methyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 144939242
N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-10-[(1E)-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]-N-phenylanthracen-9-amine
CID 143535686
9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine
CID 157415217
10-methyl-N-naphthalen-2-yl-N-(4-phenylphenyl)anthracen-9-amine
CID 143494684
1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 141305521
N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine
CID 166033120
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 160638191
N-[4-[4-[4-(3-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-(3-methylphenyl)naphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 157153333
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 161406652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of 2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 142508119) is 2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for 2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for 2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine is C=c1cccc/c1=C(C(\C)=C/C)/N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3c(C)ccc4ccccc34)cc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is CXQPDTRIZMDGIE-JMWXEBEKSA-N. The full InChI is InChI=1S/C47H40N2/c1-5-34(2)46(44-22-14-12-16-35(44)3)48(40-18-8-6-9-19-40)42-30-26-37(27-31-42)38-28-32-43(33-29-38)49(41-20-10-7-11-21-41)47-36(4)24-25-39-17-13-15-23-45(39)47/h5-33H,3H2,1-2,4H3/b34-5-,46-44+.
What are the key properties of 2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 632.85 g/mol, XLogP of 11.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[4-(N-[(Z,1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 142508119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).