N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline

C60H45N3 — CID 58729717

IUPACN,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5-c5cccc(N(c6ccccc6)c6ccccc6)c5)c4)cc3)cc2)cc1
InChIInChI=1S/C60H45N3/c1-6-22-50(23-7-1)61(51-24-8-2-9-25-51)55-40-36-46(37-41-55)47-38-42-56(43-39-47)63(54-30-14-5-15-31-54)58-33-19-21-49(45-58)60-35-17-16-34-59(60)48-20-18-32-57(44-48)62(52-26-10-3-11-27-52)53-28-12-4-13-29-53/h1-45H
InChIKeyLSDATGOCABNECE-UHFFFAOYSA-N
MW808.04 g/mol
LogP17.10
Rot. Bonds12

About N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline

N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline (PubChem CID 58729717) has the molecular formula C60H45N3 and a molecular weight of 808.04 g/mol. Its IUPAC name is N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
PubChem CID58729717
Molecular FormulaC60H45N3
Molecular Weight808.04 g/mol
Exact Mass807.36
IUPAC NameN,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5-c5cccc(N(c6ccccc6)c6ccccc6)c5)c4)cc3)cc2)cc1
InChIInChI=1S/C60H45N3/c1-6-22-50(23-7-1)61(51-24-8-2-9-25-51)55-40-36-46(37-41-55)47-38-42-56(43-39-47)63(54-30-14-5-15-31-54)58-33-19-21-49(45-58)60-35-17-16-34-59(60)48-20-18-32-57(44-48)62(52-26-10-3-11-27-52)53-28-12-4-13-29-53/h1-45H
InChIKeyLSDATGOCABNECE-UHFFFAOYSA-N
XLogP17.10
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.04
LogP ≤ 517.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 67071863
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-[4-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665574
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline (CID 58729717) is N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(-c5ccccc5-c5cccc(N(c6ccccc6)c6ccccc6)c5)c4)cc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline?
The InChIKey is LSDATGOCABNECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N3/c1-6-22-50(23-7-1)61(51-24-8-2-9-25-51)55-40-36-46(37-41-55)47-38-42-56(43-39-47)63(54-30-14-5-15-31-54)58-33-19-21-49(45-58)60-35-17-16-34-59(60)48-20-18-32-57(44-48)62(52-26-10-3-11-27-52)53-28-12-4-13-29-53/h1-45H.
What are the key properties of N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline?
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline has a molecular weight of 808.04 g/mol, XLogP of 17.10, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 58729717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).