2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine

C74H50N2 — CID 159188503

IUPAC2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine
SMILESc1ccc(-c2cc3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5ccccc45)c(-c4ccccc4)c3cc2N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C74H50N2/c1-3-19-55(20-4-1)68-49-59-43-48-72(75(70-37-17-29-53-23-9-13-33-66(53)70)60-44-39-56(40-45-60)64-35-15-27-51-21-7-11-31-62(51)64)74(58-25-5-2-6-26-58)69(59)50-73(68)76(71-38-18-30-54-24-10-14-34-67(54)71)61-46-41-57(42-47-61)65-36-16-28-52-22-8-12-32-63(52)65/h1-50H
InChIKeyQORVUAAATYMQHM-UHFFFAOYSA-N
MW967.23 g/mol
LogP21.06
Rot. Bonds10

About 2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine

2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine (PubChem CID 159188503) has the molecular formula C74H50N2 and a molecular weight of 967.23 g/mol. Its IUPAC name is 2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine
PubChem CID159188503
Molecular FormulaC74H50N2
Molecular Weight967.23 g/mol
Exact Mass966.40
IUPAC Name2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine
SMILESc1ccc(-c2cc3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5ccccc45)c(-c4ccccc4)c3cc2N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C74H50N2/c1-3-19-55(20-4-1)68-49-59-43-48-72(75(70-37-17-29-53-23-9-13-33-66(53)70)60-44-39-56(40-45-60)64-35-15-27-51-21-7-11-31-62(51)64)74(58-25-5-2-6-26-58)69(59)50-73(68)76(71-38-18-30-54-24-10-14-34-67(54)71)61-46-41-57(42-47-61)65-36-16-28-52-22-8-12-32-63(52)65/h1-50H
InChIKeyQORVUAAATYMQHM-UHFFFAOYSA-N
XLogP21.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.23
LogP ≤ 521.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274764
N-naphthalen-1-yl-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 164774057
N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 167233788
N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254274
N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 159269643
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611759
N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167235524
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 139352798
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine?
The IUPAC name of 2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine (CID 159188503) is 2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine?
The canonical SMILES for 2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine is c1ccc(-c2cc3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5ccccc45)c(-c4ccccc4)c3cc2N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine?
The InChIKey is QORVUAAATYMQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2/c1-3-19-55(20-4-1)68-49-59-43-48-72(75(70-37-17-29-53-23-9-13-33-66(53)70)60-44-39-56(40-45-60)64-35-15-27-51-21-7-11-31-62(51)64)74(58-25-5-2-6-26-58)69(59)50-73(68)76(71-38-18-30-54-24-10-14-34-67(54)71)61-46-41-57(42-47-61)65-36-16-28-52-22-8-12-32-63(52)65/h1-50H.
What are the key properties of 2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine?
2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine has a molecular weight of 967.23 g/mol, XLogP of 21.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-naphthalen-1-ylphenyl)-1,6-diphenylnaphthalene-2,7-diamine is sourced from PubChem (CID 159188503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).