1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine

C38H34N2 — CID 18941763

IUPAC1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine
SMILESCc1cccc(N(c2cccc(C)c2)c2cc(N(c3cccc(C)c3)c3cccc(C)c3)c3ccccc3c2)c1
InChIInChI=1S/C38H34N2/c1-27-11-7-16-32(21-27)39(33-17-8-12-28(2)22-33)36-25-31-15-5-6-20-37(31)38(26-36)40(34-18-9-13-29(3)23-34)35-19-10-14-30(4)24-35/h5-26H,1-4H3
InChIKeyYXUVRINAJLUNTH-UHFFFAOYSA-N
MW518.70 g/mol
LogP11.01
Rot. Bonds6

About 1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine

1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine (PubChem CID 18941763) has the molecular formula C38H34N2 and a molecular weight of 518.70 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine
PubChem CID18941763
Molecular FormulaC38H34N2
Molecular Weight518.70 g/mol
Exact Mass518.27
IUPAC Name1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine
SMILESCc1cccc(N(c2cccc(C)c2)c2cc(N(c3cccc(C)c3)c3cccc(C)c3)c3ccccc3c2)c1
InChIInChI=1S/C38H34N2/c1-27-11-7-16-32(21-27)39(33-17-8-12-28(2)22-33)36-25-31-15-5-6-20-37(31)38(26-36)40(34-18-9-13-29(3)23-34)35-19-10-14-30(4)24-35/h5-26H,1-4H3
InChIKeyYXUVRINAJLUNTH-UHFFFAOYSA-N
XLogP11.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine
CID 140898025
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;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 158590649
N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine
CID 140898016
N,N-bis(3-methylphenyl)chrysen-6-amine
CID 23520689
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
1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 20754061
N-(4-fluorophenyl)-N-(3-methylphenyl)naphthalen-1-amine
CID 15808211
N-(3-methylphenyl)-N-phenylanthracen-9-amine
CID 22976643
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(2-methylphenyl)-N-phenylnaphthalen-1-amine;N-(2-methylphenyl)-N-phenylnaphthalen-2-amine;N-(3-methylphenyl)-N-phenylnaphthalen-1-amine;N-(3-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158492638
6-methyl-N-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 58876066
N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 91284836

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine (CID 18941763) is 1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine is Cc1cccc(N(c2cccc(C)c2)c2cc(N(c3cccc(C)c3)c3cccc(C)c3)c3ccccc3c2)c1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine?
The InChIKey is YXUVRINAJLUNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2/c1-27-11-7-16-32(21-27)39(33-17-8-12-28(2)22-33)36-25-31-15-5-6-20-37(31)38(26-36)40(34-18-9-13-29(3)23-34)35-19-10-14-30(4)24-35/h5-26H,1-4H3.
What are the key properties of 1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine?
1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine has a molecular weight of 518.70 g/mol, XLogP of 11.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine is sourced from PubChem (CID 18941763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).