1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine

C52H41N — CID 144990400

IUPAC1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine
SMILESCc1ccc(N(c2ccc3c(c2)-c2ccccc2C3)c2cccc3ccccc23)cc1.Cc1ccc2ccccc2c1-c1cccc2cccc(C)c12
InChIInChI=1S/C30H23N.C22H18/c1-21-13-16-25(17-14-21)31(30-12-6-9-22-7-2-5-11-28(22)30)26-18-15-24-19-23-8-3-4-10-27(23)29(24)20-26;1-15-7-5-9-18-10-6-12-20(21(15)18)22-16(2)13-14-17-8-3-4-11-19(17)22/h2-18,20H,19H2,1H3;3-14H,1-2H3
InChIKeyCUWIGGWEQVRAQF-UHFFFAOYSA-N
MW679.91 g/mol
LogP14.47
Rot. Bonds4

About 1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine

1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine (PubChem CID 144990400) has the molecular formula C52H41N and a molecular weight of 679.91 g/mol. Its IUPAC name is 1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine.

Molecular Properties

Compound Name1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine
PubChem CID144990400
Molecular FormulaC52H41N
Molecular Weight679.91 g/mol
Exact Mass679.32
IUPAC Name1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine
SMILESCc1ccc(N(c2ccc3c(c2)-c2ccccc2C3)c2cccc3ccccc23)cc1.Cc1ccc2ccccc2c1-c1cccc2cccc(C)c12
InChIInChI=1S/C30H23N.C22H18/c1-21-13-16-25(17-14-21)31(30-12-6-9-22-7-2-5-11-28(22)30)26-18-15-24-19-23-8-3-4-10-27(23)29(24)20-26;1-15-7-5-9-18-10-6-12-20(21(15)18)22-16(2)13-14-17-8-3-4-11-19(17)22/h2-18,20H,19H2,1H3;3-14H,1-2H3
InChIKeyCUWIGGWEQVRAQF-UHFFFAOYSA-N
XLogP14.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.91
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9H-fluoren-2-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine;N-[4-[4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158984824
N-(2-naphthalen-1-ylnaphthalen-1-yl)-N-(4-phenylphenyl)-9H-fluoren-3-amine
CID 176588293
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
N,N-bis(4-methylphenyl)-6,12-dihydroindeno[1,2-b]fluoren-2-amine
CID 71099967
27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine
CID 174292847
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158140661
4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 159675140
1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 161386948
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;4-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 160803863
N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine
CID 166008466
6-methyl-N-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 58876066
N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine
CID 91237868

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine?
The IUPAC name of 1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine (CID 144990400) is 1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine.
What is the SMILES notation for 1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine?
The canonical SMILES for 1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine is Cc1ccc(N(c2ccc3c(c2)-c2ccccc2C3)c2cccc3ccccc23)cc1.Cc1ccc2ccccc2c1-c1cccc2cccc(C)c12.
What is the InChIKey of 1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine?
The InChIKey is CUWIGGWEQVRAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N.C22H18/c1-21-13-16-25(17-14-21)31(30-12-6-9-22-7-2-5-11-28(22)30)26-18-15-24-19-23-8-3-4-10-27(23)29(24)20-26;1-15-7-5-9-18-10-6-12-20(21(15)18)22-16(2)13-14-17-8-3-4-11-19(17)22/h2-18,20H,19H2,1H3;3-14H,1-2H3.
What are the key properties of 1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine?
1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine has a molecular weight of 679.91 g/mol, XLogP of 14.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(2-methylnaphthalen-1-yl)naphthalene;N-(4-methylphenyl)-N-naphthalen-1-yl-9H-fluoren-3-amine is sourced from PubChem (CID 144990400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).