4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine

C72H52N2 — CID 118603870

IUPAC4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C72H52N2/c1-7-19-53(20-8-1)58-31-33-64(34-32-58)70-51-69(63-29-17-6-18-30-63)71(73(65-43-35-59(36-44-65)54-21-9-2-10-22-54)66-45-37-60(38-46-66)55-23-11-3-12-24-55)52-72(70)74(67-47-39-61(40-48-67)56-25-13-4-14-26-56)68-49-41-62(42-50-68)57-27-15-5-16-28-57/h1-52H
InChIKeyKNKGLMVRGOVQSH-UHFFFAOYSA-N
MW945.22 g/mol
LogP20.30
Rot. Bonds13

About 4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine

4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 118603870) has the molecular formula C72H52N2 and a molecular weight of 945.22 g/mol. Its IUPAC name is 4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine
PubChem CID118603870
Molecular FormulaC72H52N2
Molecular Weight945.22 g/mol
Exact Mass944.41
IUPAC Name4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C72H52N2/c1-7-19-53(20-8-1)58-31-33-64(34-32-58)70-51-69(63-29-17-6-18-30-63)71(73(65-43-35-59(36-44-65)54-21-9-2-10-22-54)66-45-37-60(38-46-66)55-23-11-3-12-24-55)52-72(70)74(67-47-39-61(40-48-67)56-25-13-4-14-26-56)68-49-41-62(42-50-68)57-27-15-5-16-28-57/h1-52H
InChIKeyKNKGLMVRGOVQSH-UHFFFAOYSA-N
XLogP20.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.22
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N,4,6-tetraphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 118603843
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
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
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172501823
1-N,3-N-dinaphthalen-1-yl-1-N,3-N,4,6-tetraphenylbenzene-1,3-diamine;4,6-diphenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N,1-N,3-N,4,6-pentakis-phenylbenzene-1,3-diamine;3-N-naphthalen-2-yl-1-N,1-N,3-N,4,6-pentakis-phenylbenzene-1,3-diamine
CID 159990110
N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254274

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine (CID 118603870) is 4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is KNKGLMVRGOVQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N2/c1-7-19-53(20-8-1)58-31-33-64(34-32-58)70-51-69(63-29-17-6-18-30-63)71(73(65-43-35-59(36-44-65)54-21-9-2-10-22-54)66-45-37-60(38-46-66)55-23-11-3-12-24-55)52-72(70)74(67-47-39-61(40-48-67)56-25-13-4-14-26-56)68-49-41-62(42-50-68)57-27-15-5-16-28-57/h1-52H.
What are the key properties of 4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine?
4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 945.22 g/mol, XLogP of 20.30, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 118603870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).