4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine

C56H40N2 — CID 176588104

IUPAC4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(-c5cccc6ccc(-c7cccc8ccccc78)cc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H40N2/c1-4-14-41(15-5-1)42-28-32-49(33-29-42)57(47-19-6-2-7-20-47)51-36-38-52(39-37-51)58(48-21-8-3-9-22-48)50-34-30-45(31-35-50)54-24-13-18-44-26-27-46(40-56(44)54)55-25-12-17-43-16-10-11-23-53(43)55/h1-40H
InChIKeyYNHCRGHYUCHYDK-UHFFFAOYSA-N
MW740.95 g/mol
LogP15.93
Rot. Bonds9

About 4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine

4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 176588104) has the molecular formula C56H40N2 and a molecular weight of 740.95 g/mol. Its IUPAC name is 4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
PubChem CID176588104
Molecular FormulaC56H40N2
Molecular Weight740.95 g/mol
Exact Mass740.32
IUPAC Name4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(-c5cccc6ccc(-c7cccc8ccccc78)cc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H40N2/c1-4-14-41(15-5-1)42-28-32-49(33-29-42)57(47-19-6-2-7-20-47)51-36-38-52(39-37-51)58(48-21-8-3-9-22-48)50-34-30-45(31-35-50)54-24-13-18-44-26-27-46(40-56(44)54)55-25-12-17-43-16-10-11-23-53(43)55/h1-40H
InChIKeyYNHCRGHYUCHYDK-UHFFFAOYSA-N
XLogP15.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.95
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[8-(3-phenylphenyl)naphthalen-2-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[8-(4-phenylphenyl)naphthalen-2-yl]phenyl]aniline
CID 158319710
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
CID 161293442
4-(5-naphthalen-1-ylanthracen-1-yl)-N,N-diphenylaniline
CID 142716868
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline
CID 118901528
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526926
1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine
CID 176587601
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine (CID 176588104) is 4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(-c5cccc6ccc(-c7cccc8ccccc78)cc56)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine?
The InChIKey is YNHCRGHYUCHYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2/c1-4-14-41(15-5-1)42-28-32-49(33-29-42)57(47-19-6-2-7-20-47)51-36-38-52(39-37-51)58(48-21-8-3-9-22-48)50-34-30-45(31-35-50)54-24-13-18-44-26-27-46(40-56(44)54)55-25-12-17-43-16-10-11-23-53(43)55/h1-40H.
What are the key properties of 4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine?
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 740.95 g/mol, XLogP of 15.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 176588104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).