4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline

C76H51N — CID 118901528

IUPAC4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline
SMILESc1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6ccc(N(c7ccc(-c8cccc(-c9cccc%10ccccc9%10)c8)cc7)c7ccc(-c8cccc(-c9cccc%10ccccc9%10)c8)cc7)cc6)cc5c4)cc3c2)cc1
InChIInChI=1S/C76H51N/c1-2-12-52(13-3-1)62-30-26-56-28-32-64(50-68(56)48-62)65-33-29-57-27-31-63(49-69(57)51-65)55-38-44-72(45-39-55)77(70-40-34-53(35-41-70)60-18-8-20-66(46-60)75-24-10-16-58-14-4-6-22-73(58)75)71-42-36-54(37-43-71)61-19-9-21-67(47-61)76-25-11-17-59-15-5-7-23-74(59)76/h1-51H
InChIKeyPOHACRDLIZEVJO-UHFFFAOYSA-N
MW978.25 g/mol
LogP21.44
Rot. Bonds10

About 4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline

4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline (PubChem CID 118901528) has the molecular formula C76H51N and a molecular weight of 978.25 g/mol. Its IUPAC name is 4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline
PubChem CID118901528
Molecular FormulaC76H51N
Molecular Weight978.25 g/mol
Exact Mass977.40
IUPAC Name4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline
SMILESc1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6ccc(N(c7ccc(-c8cccc(-c9cccc%10ccccc9%10)c8)cc7)c7ccc(-c8cccc(-c9cccc%10ccccc9%10)c8)cc7)cc6)cc5c4)cc3c2)cc1
InChIInChI=1S/C76H51N/c1-2-12-52(13-3-1)62-30-26-56-28-32-64(50-68(56)48-62)65-33-29-57-27-31-63(49-69(57)51-65)55-38-44-72(45-39-55)77(70-40-34-53(35-41-70)60-18-8-20-66(46-60)75-24-10-16-58-14-4-6-22-73(58)75)71-42-36-54(37-43-71)61-19-9-21-67(47-61)76-25-11-17-59-15-5-7-23-74(59)76/h1-51H
InChIKeyPOHACRDLIZEVJO-UHFFFAOYSA-N
XLogP21.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.25
LogP ≤ 521.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
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
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
N-(4-naphthalen-1-ylphenyl)-17-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032157
N-[4-(3,4-diphenylphenyl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167003322
N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline
CID 155305413
methane;N-[4-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157113671
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
N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
CID 167323754
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline?
The IUPAC name of 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) is 4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline.
What is the SMILES notation for 4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline?
The canonical SMILES for 4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline is c1ccc(-c2ccc3ccc(-c4ccc5ccc(-c6ccc(N(c7ccc(-c8cccc(-c9cccc%10ccccc9%10)c8)cc7)c7ccc(-c8cccc(-c9cccc%10ccccc9%10)c8)cc7)cc6)cc5c4)cc3c2)cc1.
What is the InChIKey of 4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline?
The InChIKey is POHACRDLIZEVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H51N/c1-2-12-52(13-3-1)62-30-26-56-28-32-64(50-68(56)48-62)65-33-29-57-27-31-63(49-69(57)51-65)55-38-44-72(45-39-55)77(70-40-34-53(35-41-70)60-18-8-20-66(46-60)75-24-10-16-58-14-4-6-22-73(58)75)71-42-36-54(37-43-71)61-19-9-21-67(47-61)76-25-11-17-59-15-5-7-23-74(59)76/h1-51H.
What are the key properties of 4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline?
4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline has a molecular weight of 978.25 g/mol, XLogP of 21.44, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline is sourced from PubChem (CID 118901528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).