N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine

C47H38N2 — CID 146518070

IUPACN-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine
SMILESCc1cc(N(C2=c3ccccc3=CCC=C2)c2ccccc2)ccc1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1C
InChIInChI=1S/C47H38N2/c1-34-32-40(48(38-20-5-3-6-21-38)46-26-14-11-18-36-16-9-12-24-44(36)46)28-30-42(34)43-31-29-41(33-35(43)2)49(39-22-7-4-8-23-39)47-27-15-19-37-17-10-13-25-45(37)47/h3-10,12-33H,11H2,1-2H3
InChIKeyVWZQOKXBSDXHIJ-UHFFFAOYSA-N
MW630.84 g/mol
LogP11.28
Rot. Bonds7

About N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine

N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine (PubChem CID 146518070) has the molecular formula C47H38N2 and a molecular weight of 630.84 g/mol. Its IUPAC name is N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine
PubChem CID146518070
Molecular FormulaC47H38N2
Molecular Weight630.84 g/mol
Exact Mass630.30
IUPAC NameN-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine
SMILESCc1cc(N(C2=c3ccccc3=CCC=C2)c2ccccc2)ccc1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1C
InChIInChI=1S/C47H38N2/c1-34-32-40(48(38-20-5-3-6-21-38)46-26-14-11-18-36-16-9-12-24-44(36)46)28-30-42(34)43-31-29-41(33-35(43)2)49(39-22-7-4-8-23-39)47-27-15-19-37-17-10-13-25-45(37)47/h3-10,12-33H,11H2,1-2H3
InChIKeyVWZQOKXBSDXHIJ-UHFFFAOYSA-N
XLogP11.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.84
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706
N-methyl-N-naphthalen-1-yl-8H-benzo[7]annulen-5-amine
CID 143268577
N-(3,4-dimethylphenyl)-N-phenylnaphthalen-1-amine
CID 123561846
N-[4-[4-(N-[2-[(Z)-but-1-en-3-ynyl]-3-methylphenyl]anilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine
CID 129311823
N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine
CID 123246772
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N-[3-methyl-4-[2-methyl-4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-5-[2-methyl-4-(N-naphthalen-2-ylanilino)phenyl]-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]naphthalen-1-amine
CID 58121806
4-(4-hydroxy-2-methylphenyl)-5-methyl-2-[4-(N-naphthalen-1-ylanilino)phenyl]phenol
CID 143802735
3-N,3-N-dimethyl-1-N-naphthalen-1-yl-1-N,4-diphenylbenzene-1,3-diamine;methane
CID 174429724
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
N,N-diphenylnaphthalen-1-amine
CID 11392281

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine?
The IUPAC name of N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine (CID 146518070) is N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine?
The canonical SMILES for N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine is Cc1cc(N(C2=c3ccccc3=CCC=C2)c2ccccc2)ccc1-c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1C.
What is the InChIKey of N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine?
The InChIKey is VWZQOKXBSDXHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N2/c1-34-32-40(48(38-20-5-3-6-21-38)46-26-14-11-18-36-16-9-12-24-44(36)46)28-30-42(34)43-31-29-41(33-35(43)2)49(39-22-7-4-8-23-39)47-27-15-19-37-17-10-13-25-45(37)47/h3-10,12-33H,11H2,1-2H3.
What are the key properties of N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine?
N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine has a molecular weight of 630.84 g/mol, XLogP of 11.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenyl-8H-benzo[7]annulen-5-amine is sourced from PubChem (CID 146518070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).