4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline

C84H60N2 — CID 58672379

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)c5ccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C84H60N2/c1-5-15-61(16-6-1)65-27-31-71(32-28-65)75-23-13-25-77(59-75)73-43-55-83(56-44-73)86(84-57-45-74(46-58-84)78-26-14-24-76(60-78)72-33-29-66(30-34-72)62-17-7-2-8-18-62)82-53-41-70(42-54-82)69-39-51-81(52-40-69)85(79-47-35-67(36-48-79)63-19-9-3-10-20-63)80-49-37-68(38-50-80)64-21-11-4-12-22-64/h1-60H
InChIKeyMWYRWGJTQVCZHX-UHFFFAOYSA-N
MW1097.42 g/mol
LogP23.63
Rot. Bonds15

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline (PubChem CID 58672379) has the molecular formula C84H60N2 and a molecular weight of 1097.42 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
PubChem CID58672379
Molecular FormulaC84H60N2
Molecular Weight1097.42 g/mol
Exact Mass1096.48
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)c5ccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C84H60N2/c1-5-15-61(16-6-1)65-27-31-71(32-28-65)75-23-13-25-77(59-75)73-43-55-83(56-44-73)86(84-57-45-74(46-58-84)78-26-14-24-76(60-78)72-33-29-66(30-34-72)62-17-7-2-8-18-62)82-53-41-70(42-54-82)69-39-51-81(52-40-69)85(79-47-35-67(36-48-79)63-19-9-3-10-20-63)80-49-37-68(38-50-80)64-21-11-4-12-22-64/h1-60H
InChIKeyMWYRWGJTQVCZHX-UHFFFAOYSA-N
XLogP23.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.42
LogP ≤ 523.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline (CID 58672379) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline is c1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)c5ccc(-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline?
The InChIKey is MWYRWGJTQVCZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H60N2/c1-5-15-61(16-6-1)65-27-31-71(32-28-65)75-23-13-25-77(59-75)73-43-55-83(56-44-73)86(84-57-45-74(46-58-84)78-26-14-24-76(60-78)72-33-29-66(30-34-72)62-17-7-2-8-18-62)82-53-41-70(42-54-82)69-39-51-81(52-40-69)85(79-47-35-67(36-48-79)63-19-9-3-10-20-63)80-49-37-68(38-50-80)64-21-11-4-12-22-64/h1-60H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline has a molecular weight of 1097.42 g/mol, XLogP of 23.63, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline is sourced from PubChem (CID 58672379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).