N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C70H49N3 — CID 58028667

IUPACN-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6cc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C70H49N3/c1-5-13-50(14-6-1)54-21-23-57(24-22-54)60-39-45-66(46-40-60)73(65-43-37-59(38-44-65)53-19-11-4-12-20-53)67-47-41-61(42-48-67)58-27-33-63(34-28-58)69-49-68(62-31-25-55(26-32-62)51-15-7-2-8-16-51)71-70(72-69)64-35-29-56(30-36-64)52-17-9-3-10-18-52/h1-49H
InChIKeyGTCXBNRQOQIZIB-UHFFFAOYSA-N
MW932.18 g/mol
LogP18.95
Rot. Bonds12

About N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 58028667) has the molecular formula C70H49N3 and a molecular weight of 932.18 g/mol. Its IUPAC name is N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID58028667
Molecular FormulaC70H49N3
Molecular Weight932.18 g/mol
Exact Mass931.39
IUPAC NameN-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6cc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C70H49N3/c1-5-13-50(14-6-1)54-21-23-57(24-22-54)60-39-45-66(46-40-60)73(65-43-37-59(38-44-65)53-19-11-4-12-20-53)67-47-41-61(42-48-67)58-27-33-63(34-28-58)69-49-68(62-31-25-55(26-32-62)51-15-7-2-8-16-51)71-70(72-69)64-35-29-56(30-36-64)52-17-9-3-10-18-52/h1-49H
InChIKeyGTCXBNRQOQIZIB-UHFFFAOYSA-N
XLogP18.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.18
LogP ≤ 518.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 58028604
N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline
CID 59779628
N-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028686
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58028600
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
N-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028726
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
CID 163867138
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095426
N-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 58028696

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 58028667) is N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6cc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is GTCXBNRQOQIZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N3/c1-5-13-50(14-6-1)54-21-23-57(24-22-54)60-39-45-66(46-40-60)73(65-43-37-59(38-44-65)53-19-11-4-12-20-53)67-47-41-61(42-48-67)58-27-33-63(34-28-58)69-49-68(62-31-25-55(26-32-62)51-15-7-2-8-16-51)71-70(72-69)64-35-29-56(30-36-64)52-17-9-3-10-18-52/h1-49H.
What are the key properties of N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 932.18 g/mol, XLogP of 18.95, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 58028667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).