1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine

C90H65N3 — CID 164813761

IUPAC1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4c(-c5ccccc5)cccc4-c4ccccc4)cc(N(c4ccc(-c5ccccc5)cc4)c4c(-c5ccccc5)cccc4-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C90H65N3/c1-9-27-66(28-10-1)70-47-55-78(56-48-70)91(79-57-49-71(50-58-79)67-29-11-2-12-30-67)82-63-83(92(80-59-51-72(52-60-80)68-31-13-3-14-32-68)89-85(74-35-17-5-18-36-74)43-25-44-86(89)75-37-19-6-20-38-75)65-84(64-82)93(81-61-53-73(54-62-81)69-33-15-4-16-34-69)90-87(76-39-21-7-22-40-76)45-26-46-88(90)77-41-23-8-24-42-77/h1-65H
InChIKeyHGTJIABXJFWQNZ-UHFFFAOYSA-N
MW1188.53 g/mol
LogP25.43
Rot. Bonds17

About 1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine

1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine (PubChem CID 164813761) has the molecular formula C90H65N3 and a molecular weight of 1188.53 g/mol. Its IUPAC name is 1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine.

Molecular Properties

Compound Name1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine
PubChem CID164813761
Molecular FormulaC90H65N3
Molecular Weight1188.53 g/mol
Exact Mass1187.52
IUPAC Name1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4c(-c5ccccc5)cccc4-c4ccccc4)cc(N(c4ccc(-c5ccccc5)cc4)c4c(-c5ccccc5)cccc4-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C90H65N3/c1-9-27-66(28-10-1)70-47-55-78(56-48-70)91(79-57-49-71(50-58-79)67-29-11-2-12-30-67)82-63-83(92(80-59-51-72(52-60-80)68-31-13-3-14-32-68)89-85(74-35-17-5-18-36-74)43-25-44-86(89)75-37-19-6-20-38-75)65-84(64-82)93(81-61-53-73(54-62-81)69-33-15-4-16-34-69)90-87(76-39-21-7-22-40-76)45-26-46-88(90)77-41-23-8-24-42-77/h1-65H
InChIKeyHGTJIABXJFWQNZ-UHFFFAOYSA-N
XLogP25.43
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001188.53
LogP ≤ 525.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
3-N-(2,6-diphenylphenyl)-5-fluoro-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 164813849
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
2,4,6-triphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(2,4,6-triphenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132240
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-[4-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665574
2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
CID 167255202
N-[4-(2,3-diphenylphenyl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 146665501
4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine
CID 118603870
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665575

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine?
The IUPAC name of 1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine (CID 164813761) is 1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine.
What is the SMILES notation for 1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine?
The canonical SMILES for 1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(N(c4ccc(-c5ccccc5)cc4)c4c(-c5ccccc5)cccc4-c4ccccc4)cc(N(c4ccc(-c5ccccc5)cc4)c4c(-c5ccccc5)cccc4-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine?
The InChIKey is HGTJIABXJFWQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H65N3/c1-9-27-66(28-10-1)70-47-55-78(56-48-70)91(79-57-49-71(50-58-79)67-29-11-2-12-30-67)82-63-83(92(80-59-51-72(52-60-80)68-31-13-3-14-32-68)89-85(74-35-17-5-18-36-74)43-25-44-86(89)75-37-19-6-20-38-75)65-84(64-82)93(81-61-53-73(54-62-81)69-33-15-4-16-34-69)90-87(76-39-21-7-22-40-76)45-26-46-88(90)77-41-23-8-24-42-77/h1-65H.
What are the key properties of 1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine?
1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine has a molecular weight of 1188.53 g/mol, XLogP of 25.43, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine is sourced from PubChem (CID 164813761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).