N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline

C96H69N3 — CID 87182000

IUPACN-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cc(-c4ccc(N(c5ccccc5-c5ccccc5)c5ccccc5-c5ccccc5)cc4)cc(-c4ccc(N(c5ccccc5-c5ccccc5)c5ccccc5-c5ccccc5)cc4)c3)cc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C96H69N3/c1-7-31-73(32-8-1)85-43-19-25-49-91(85)97(92-50-26-20-44-86(92)74-33-9-2-10-34-74)82-61-55-70(56-62-82)79-67-80(71-57-63-83(64-58-71)98(93-51-27-21-45-87(93)75-35-11-3-12-36-75)94-52-28-22-46-88(94)76-37-13-4-14-38-76)69-81(68-79)72-59-65-84(66-60-72)99(95-53-29-23-47-89(95)77-39-15-5-16-40-77)96-54-30-24-48-90(96)78-41-17-6-18-42-78/h1-69H
InChIKeyKMNIBMBRPNQDPO-UHFFFAOYSA-N
MW1264.63 g/mol
LogP27.10
Rot. Bonds18

About N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline

N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline (PubChem CID 87182000) has the molecular formula C96H69N3 and a molecular weight of 1264.63 g/mol. Its IUPAC name is N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
PubChem CID87182000
Molecular FormulaC96H69N3
Molecular Weight1264.63 g/mol
Exact Mass1263.55
IUPAC NameN-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cc(-c4ccc(N(c5ccccc5-c5ccccc5)c5ccccc5-c5ccccc5)cc4)cc(-c4ccc(N(c5ccccc5-c5ccccc5)c5ccccc5-c5ccccc5)cc4)c3)cc2)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C96H69N3/c1-7-31-73(32-8-1)85-43-19-25-49-91(85)97(92-50-26-20-44-86(92)74-33-9-2-10-34-74)82-61-55-70(56-62-82)79-67-80(71-57-63-83(64-58-71)98(93-51-27-21-45-87(93)75-35-11-3-12-36-75)94-52-28-22-46-88(94)76-37-13-4-14-38-76)69-81(68-79)72-59-65-84(66-60-72)99(95-53-29-23-47-89(95)77-39-15-5-16-40-77)96-54-30-24-48-90(96)78-41-17-6-18-42-78/h1-69H
InChIKeyKMNIBMBRPNQDPO-UHFFFAOYSA-N
XLogP27.10
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001264.63
LogP ≤ 527.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172501038
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200
N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-(2-phenylphenyl)aniline
CID 167233900
N-phenyl-2-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172502156
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
4-[3,5-dimethyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322868
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665575
N-[4-(3,5-diphenylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline
CID 167235492
2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172501823
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
The IUPAC name of N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline (CID 87182000) is N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
The canonical SMILES for N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2N(c2ccc(-c3cc(-c4ccc(N(c5ccccc5-c5ccccc5)c5ccccc5-c5ccccc5)cc4)cc(-c4ccc(N(c5ccccc5-c5ccccc5)c5ccccc5-c5ccccc5)cc4)c3)cc2)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
The InChIKey is KMNIBMBRPNQDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H69N3/c1-7-31-73(32-8-1)85-43-19-25-49-91(85)97(92-50-26-20-44-86(92)74-33-9-2-10-34-74)82-61-55-70(56-62-82)79-67-80(71-57-63-83(64-58-71)98(93-51-27-21-45-87(93)75-35-11-3-12-36-75)94-52-28-22-46-88(94)76-37-13-4-14-38-76)69-81(68-79)72-59-65-84(66-60-72)99(95-53-29-23-47-89(95)77-39-15-5-16-40-77)96-54-30-24-48-90(96)78-41-17-6-18-42-78/h1-69H.
What are the key properties of N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline?
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline has a molecular weight of 1264.63 g/mol, XLogP of 27.10, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 87182000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).