N-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine

C51H40N2 — CID 166916989

IUPACN-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine
SMILESCC1C=CC=CC1N(c1ccccc1)c1cccc2c(-c3ccc(N(c4ccccc4)c4cc(-c5ccccc5)c5ccccc5c4)cc3)cccc12
InChIInChI=1S/C51H40N2/c1-37-17-11-14-29-50(37)53(42-23-9-4-10-24-42)51-30-16-27-47-45(26-15-28-48(47)51)39-31-33-43(34-32-39)52(41-21-7-3-8-22-41)44-35-40-20-12-13-25-46(40)49(36-44)38-18-5-2-6-19-38/h2-37,50H,1H3
InChIKeyQAISFGQADHTMSS-UHFFFAOYSA-N
MW680.90 g/mol
LogP14.07
Rot. Bonds8

About N-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine

N-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine (PubChem CID 166916989) has the molecular formula C51H40N2 and a molecular weight of 680.90 g/mol. Its IUPAC name is N-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine
PubChem CID166916989
Molecular FormulaC51H40N2
Molecular Weight680.90 g/mol
Exact Mass680.32
IUPAC NameN-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine
SMILESCC1C=CC=CC1N(c1ccccc1)c1cccc2c(-c3ccc(N(c4ccccc4)c4cc(-c5ccccc5)c5ccccc5c4)cc3)cccc12
InChIInChI=1S/C51H40N2/c1-37-17-11-14-29-50(37)53(42-23-9-4-10-24-42)51-30-16-27-47-45(26-15-28-48(47)51)39-31-33-43(34-32-39)52(41-21-7-3-8-22-41)44-35-40-20-12-13-25-46(40)49(36-44)38-18-5-2-6-19-38/h2-37,50H,1H3
InChIKeyQAISFGQADHTMSS-UHFFFAOYSA-N
XLogP14.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.90
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 166589751
N,N,4-triphenylnaphthalen-2-amine
CID 138623110
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
CID 161293442
N-cyclohepta-2,4,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine
CID 143570887
4-(5-naphthalen-1-ylanthracen-1-yl)-N,N-diphenylaniline
CID 142716868
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172501733
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
N-[4-[6-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[2-[3-[2-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-4-[2-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158773609
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
N-(4-naphthalen-1-ylphenyl)-3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 162481190

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine?
The IUPAC name of N-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine (CID 166916989) is N-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine is CC1C=CC=CC1N(c1ccccc1)c1cccc2c(-c3ccc(N(c4ccccc4)c4cc(-c5ccccc5)c5ccccc5c4)cc3)cccc12.
What is the InChIKey of N-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine?
The InChIKey is QAISFGQADHTMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2/c1-37-17-11-14-29-50(37)53(42-23-9-4-10-24-42)51-30-16-27-47-45(26-15-28-48(47)51)39-31-33-43(34-32-39)52(41-21-7-3-8-22-41)44-35-40-20-12-13-25-46(40)49(36-44)38-18-5-2-6-19-38/h2-37,50H,1H3.
What are the key properties of N-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine?
N-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine has a molecular weight of 680.90 g/mol, XLogP of 14.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(N-(6-methylcyclohexa-2,4-dien-1-yl)anilino)naphthalen-1-yl]phenyl]-N,4-diphenylnaphthalen-2-amine is sourced from PubChem (CID 166916989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).