N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline

C108H76N4 — CID 163604474

IUPACN,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc5c(cc4-c4ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc4)-c4cc(-c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)c(-c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc4-5)cc3)cc2)cc1
InChIInChI=1S/C108H76N4/c1-9-25-89(26-10-1)109(90-27-11-2-12-28-90)97-65-57-81(58-66-97)77-41-49-85(50-42-77)101-73-105-106(74-102(101)86-51-43-78(44-52-86)82-59-67-98(68-60-82)110(91-29-13-3-14-30-91)92-31-15-4-16-32-92)108-76-104(88-55-47-80(48-56-88)84-63-71-100(72-64-84)112(95-37-21-7-22-38-95)96-39-23-8-24-40-96)103(75-107(105)108)87-53-45-79(46-54-87)83-61-69-99(70-62-83)111(93-33-17-5-18-34-93)94-35-19-6-20-36-94/h1-76H
InChIKeyHAOFXFTZOIVWBJ-UHFFFAOYSA-N
MW1429.82 g/mol
LogP30.55
Rot. Bonds20

About N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline

N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline (PubChem CID 163604474) has the molecular formula C108H76N4 and a molecular weight of 1429.82 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline
PubChem CID163604474
Molecular FormulaC108H76N4
Molecular Weight1429.82 g/mol
Exact Mass1428.61
IUPAC NameN,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc5c(cc4-c4ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc4)-c4cc(-c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)c(-c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc4-5)cc3)cc2)cc1
InChIInChI=1S/C108H76N4/c1-9-25-89(26-10-1)109(90-27-11-2-12-28-90)97-65-57-81(58-66-97)77-41-49-85(50-42-77)101-73-105-106(74-102(101)86-51-43-78(44-52-86)82-59-67-98(68-60-82)110(91-29-13-3-14-30-91)92-31-15-4-16-32-92)108-76-104(88-55-47-80(48-56-88)84-63-71-100(72-64-84)112(95-37-21-7-22-38-95)96-39-23-8-24-40-96)103(75-107(105)108)87-53-45-79(46-54-87)83-61-69-99(70-62-83)111(93-33-17-5-18-34-93)94-35-19-6-20-36-94/h1-76H
InChIKeyHAOFXFTZOIVWBJ-UHFFFAOYSA-N
XLogP30.55
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001429.82
LogP ≤ 530.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline
CID 176611385
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline (CID 163604474) is N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc5c(cc4-c4ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc4)-c4cc(-c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)c(-c6ccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc4-5)cc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline?
The InChIKey is HAOFXFTZOIVWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H76N4/c1-9-25-89(26-10-1)109(90-27-11-2-12-28-90)97-65-57-81(58-66-97)77-41-49-85(50-42-77)101-73-105-106(74-102(101)86-51-43-78(44-52-86)82-59-67-98(68-60-82)110(91-29-13-3-14-30-91)92-31-15-4-16-32-92)108-76-104(88-55-47-80(48-56-88)84-63-71-100(72-64-84)112(95-37-21-7-22-38-95)96-39-23-8-24-40-96)103(75-107(105)108)87-53-45-79(46-54-87)83-61-69-99(70-62-83)111(93-33-17-5-18-34-93)94-35-19-6-20-36-94/h1-76H.
What are the key properties of N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline?
N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline has a molecular weight of 1429.82 g/mol, XLogP of 30.55, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline is sourced from PubChem (CID 163604474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).