2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine

C100H68N4 — CID 159424391

IUPAC2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
SMILESc1ccc2c(N(c3ccc4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)ccc4c3)c3cccc4ccccc34)cccc2c1.c1ccc2c(N(c3ccc4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)ccc4c3)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/2C50H34N2/c2*1-5-21-43-35(13-1)17-9-25-47(43)51(48-26-10-18-36-14-2-6-22-44(36)48)41-31-29-40-34-42(32-30-39(40)33-41)52(49-27-11-19-37-15-3-7-23-45(37)49)50-28-12-20-38-16-4-8-24-46(38)50/h2*1-34H
InChIKeyLQDZCQCEWWQFBG-UHFFFAOYSA-N
MW1325.67 g/mol
LogP28.78
Rot. Bonds12

About 2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine

2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine (PubChem CID 159424391) has the molecular formula C100H68N4 and a molecular weight of 1325.67 g/mol. Its IUPAC name is 2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
PubChem CID159424391
Molecular FormulaC100H68N4
Molecular Weight1325.67 g/mol
Exact Mass1324.54
IUPAC Name2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
SMILESc1ccc2c(N(c3ccc4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)ccc4c3)c3cccc4ccccc34)cccc2c1.c1ccc2c(N(c3ccc4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)ccc4c3)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/2C50H34N2/c2*1-5-21-43-35(13-1)17-9-25-47(43)51(48-26-10-18-36-14-2-6-22-44(36)48)41-31-29-40-34-42(32-30-39(40)33-41)52(49-27-11-19-37-15-3-7-23-45(37)49)50-28-12-20-38-16-4-8-24-46(38)50/h2*1-34H
InChIKeyLQDZCQCEWWQFBG-UHFFFAOYSA-N
XLogP28.78
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001325.67
LogP ≤ 528.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

naphthalene;2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 161142905
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
N,N-diphenylaniline;N,N-diphenylnaphthalen-1-amine;N,N-diphenylnaphthalen-2-amine;ethane;N-naphthalen-1-yl-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-phenylnaphthalen-2-amine;N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 161430896
N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(N-[4-[4-(N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-[N-naphthalen-1-yl-4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157185811
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]naphthalen-2-amine;4-N-naphthalen-1-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 159764357
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292209
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 158284393
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001
N-naphthalen-1-yl-N-[4-[10-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]anthracen-9-yl]phenyl]naphthalen-2-amine
CID 58758001
N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 159314594
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

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine?
The IUPAC name of 2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine (CID 159424391) is 2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine.
What is the SMILES notation for 2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine?
The canonical SMILES for 2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine is c1ccc2c(N(c3ccc4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)ccc4c3)c3cccc4ccccc34)cccc2c1.c1ccc2c(N(c3ccc4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)ccc4c3)c3cccc4ccccc34)cccc2c1.
What is the InChIKey of 2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine?
The InChIKey is LQDZCQCEWWQFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H34N2/c2*1-5-21-43-35(13-1)17-9-25-47(43)51(48-26-10-18-36-14-2-6-22-44(36)48)41-31-29-40-34-42(32-30-39(40)33-41)52(49-27-11-19-37-15-3-7-23-45(37)49)50-28-12-20-38-16-4-8-24-46(38)50/h2*1-34H.
What are the key properties of 2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine?
2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine has a molecular weight of 1325.67 g/mol, XLogP of 28.78, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine is sourced from PubChem (CID 159424391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).