N-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine

C49H40N2 — CID 123221285

IUPACN-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine
SMILESC=Cc1cccc(N(c2ccc(-c3ccc(N(c4cccc(C=C)c4)C4C=CC=C5C=CC=CC54C)cc3)cc2)c2cccc3ccccc23)c1
InChIInChI=1S/C49H40N2/c1-4-36-14-10-20-44(34-36)50(47-23-12-17-40-16-6-7-22-46(40)47)42-29-25-38(26-30-42)39-27-31-43(32-28-39)51(45-21-11-15-37(5-2)35-45)48-24-13-19-41-18-8-9-33-49(41,48)3/h4-35,48H,1-2H2,3H3
InChIKeyZNSOLYLMQLDIHQ-UHFFFAOYSA-N
MW656.87 g/mol
LogP13.40
Rot. Bonds9

About N-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine

N-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine (PubChem CID 123221285) has the molecular formula C49H40N2 and a molecular weight of 656.87 g/mol. Its IUPAC name is N-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine
PubChem CID123221285
Molecular FormulaC49H40N2
Molecular Weight656.87 g/mol
Exact Mass656.32
IUPAC NameN-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine
SMILESC=Cc1cccc(N(c2ccc(-c3ccc(N(c4cccc(C=C)c4)C4C=CC=C5C=CC=CC54C)cc3)cc2)c2cccc3ccccc23)c1
InChIInChI=1S/C49H40N2/c1-4-36-14-10-20-44(34-36)50(47-23-12-17-40-16-6-7-22-46(40)47)42-29-25-38(26-30-42)39-27-31-43(32-28-39)51(45-21-11-15-37(5-2)35-45)48-24-13-19-41-18-8-9-33-49(41,48)3/h4-35,48H,1-2H2,3H3
InChIKeyZNSOLYLMQLDIHQ-UHFFFAOYSA-N
XLogP13.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.87
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
2-N,7-N-bis(4-ethenylphenyl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;4-ethenyl-N-[4-[4-(N-(4-ethenylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline;N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-ethenylphenyl)naphthalen-1-amine
CID 159874682
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 58113612
N-[4-[4-[N-(1,8a-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 20728828
N-[4-[6-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 148917244
1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N,4-N-bis(6-ethenyl-9-phenylcarbazol-3-yl)-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 163786005
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine (CID 123221285) is N-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine is C=Cc1cccc(N(c2ccc(-c3ccc(N(c4cccc(C=C)c4)C4C=CC=C5C=CC=CC54C)cc3)cc2)c2cccc3ccccc23)c1.
What is the InChIKey of N-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine?
The InChIKey is ZNSOLYLMQLDIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40N2/c1-4-36-14-10-20-44(34-36)50(47-23-12-17-40-16-6-7-22-46(40)47)42-29-25-38(26-30-42)39-27-31-43(32-28-39)51(45-21-11-15-37(5-2)35-45)48-24-13-19-41-18-8-9-33-49(41,48)3/h4-35,48H,1-2H2,3H3.
What are the key properties of N-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine?
N-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine has a molecular weight of 656.87 g/mol, XLogP of 13.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-(8a-methyl-1H-naphthalen-1-yl)-3-ethenylanilino)phenyl]phenyl]-N-(3-ethenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 123221285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).