N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine

C74H53N3 — CID 59690791

IUPACN-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5cc(N(c6ccccc6)c6ccc7cc(-c8ccc(N(c9ccccc9)c9ccc(-c%10ccccc%10)cc9)cc8)ccc7c6)ccc5c4)cc3)cc2)cc1
InChIInChI=1S/C74H53N3/c1-6-16-54(17-7-1)56-30-40-69(41-31-56)75(66-20-10-3-11-21-66)71-44-34-58(35-45-71)60-26-28-64-52-73(48-38-62(64)50-60)77(68-24-14-5-15-25-68)74-49-39-63-51-61(27-29-65(63)53-74)59-36-46-72(47-37-59)76(67-22-12-4-13-23-67)70-42-32-57(33-43-70)55-18-8-2-9-19-55/h1-53H
InChIKeyDTEYHDCPLOQXNO-UHFFFAOYSA-N
MW984.26 g/mol
LogP21.07
Rot. Bonds13

About N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine

N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine (PubChem CID 59690791) has the molecular formula C74H53N3 and a molecular weight of 984.26 g/mol. Its IUPAC name is N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
PubChem CID59690791
Molecular FormulaC74H53N3
Molecular Weight984.26 g/mol
Exact Mass983.42
IUPAC NameN-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5cc(N(c6ccccc6)c6ccc7cc(-c8ccc(N(c9ccccc9)c9ccc(-c%10ccccc%10)cc9)cc8)ccc7c6)ccc5c4)cc3)cc2)cc1
InChIInChI=1S/C74H53N3/c1-6-16-54(17-7-1)56-30-40-69(41-31-56)75(66-20-10-3-11-21-66)71-44-34-58(35-45-71)60-26-28-64-52-73(48-38-62(64)50-60)77(68-24-14-5-15-25-68)74-49-39-63-51-61(27-29-65(63)53-74)59-36-46-72(47-37-59)76(67-22-12-4-13-23-67)70-42-32-57(33-43-70)55-18-8-2-9-19-55/h1-53H
InChIKeyDTEYHDCPLOQXNO-UHFFFAOYSA-N
XLogP21.07
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.26
LogP ≤ 521.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine
CID 58690845
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]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 166031712
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
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-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
CID 58900733
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645

Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine?
The IUPAC name of N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine (CID 59690791) is N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5cc(N(c6ccccc6)c6ccc7cc(-c8ccc(N(c9ccccc9)c9ccc(-c%10ccccc%10)cc9)cc8)ccc7c6)ccc5c4)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine?
The InChIKey is DTEYHDCPLOQXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H53N3/c1-6-16-54(17-7-1)56-30-40-69(41-31-56)75(66-20-10-3-11-21-66)71-44-34-58(35-45-71)60-26-28-64-52-73(48-38-62(64)50-60)77(68-24-14-5-15-25-68)74-49-39-63-51-61(27-29-65(63)53-74)59-36-46-72(47-37-59)76(67-22-12-4-13-23-67)70-42-32-57(33-43-70)55-18-8-2-9-19-55/h1-53H.
What are the key properties of N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine?
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine has a molecular weight of 984.26 g/mol, XLogP of 21.07, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine is sourced from PubChem (CID 59690791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).