1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine

C48H34N2 — CID 166506024

IUPAC1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine
SMILESC1=CC2=C(N(c3ccccc3)c3ccc4ccccc4c3)C=CC3=CC=C4C(N(c5ccccc5)c5ccc6ccccc6c5)=CC=C1C4C32
InChIInChI=1S/C48H34N2/c1-3-15-39(16-4-1)49(41-25-19-33-11-7-9-13-37(33)31-41)45-29-23-35-22-28-44-46(30-24-36-21-27-43(45)47(35)48(36)44)50(40-17-5-2-6-18-40)42-26-20-34-12-8-10-14-38(34)32-42/h1-32,47-48H
InChIKeyXRCOEVRAJQLZLR-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.29
Rot. Bonds6

About 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine

1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine (PubChem CID 166506024) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine
PubChem CID166506024
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine
SMILESC1=CC2=C(N(c3ccccc3)c3ccc4ccccc4c3)C=CC3=CC=C4C(N(c5ccccc5)c5ccc6ccccc6c5)=CC=C1C4C32
InChIInChI=1S/C48H34N2/c1-3-15-39(16-4-1)49(41-25-19-33-11-7-9-13-37(33)31-41)45-29-23-35-22-28-44-46(30-24-36-21-27-43(45)47(35)48(36)44)50(40-17-5-2-6-18-40)42-26-20-34-12-8-10-14-38(34)32-42/h1-32,47-48H
InChIKeyXRCOEVRAJQLZLR-UHFFFAOYSA-N
XLogP12.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-phenyl-10b,10c-dihydropyren-4-amine;N-naphthalen-2-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-phenylphenyl)-N-[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine;N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 159891106
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
CID 165040481
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
2-N,5-N-dinaphthalen-2-yl-2-N,5-N-diphenylfuran-2,5-diamine
CID 139844355
1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 166657814
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine (CID 166506024) is 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine is C1=CC2=C(N(c3ccccc3)c3ccc4ccccc4c3)C=CC3=CC=C4C(N(c5ccccc5)c5ccc6ccccc6c5)=CC=C1C4C32.
What is the InChIKey of 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine?
The InChIKey is XRCOEVRAJQLZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-3-15-39(16-4-1)49(41-25-19-33-11-7-9-13-37(33)31-41)45-29-23-35-22-28-44-46(30-24-36-21-27-43(45)47(35)48(36)44)50(40-17-5-2-6-18-40)42-26-20-34-12-8-10-14-38(34)32-42/h1-32,47-48H.
What are the key properties of 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine?
1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine has a molecular weight of 638.81 g/mol, XLogP of 12.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-dinaphthalen-2-yl-1-N,6-N-diphenyl-10b,10c-dihydropyrene-1,6-diamine is sourced from PubChem (CID 166506024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).