N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine

C62H48N2 — CID 138723022

IUPACN-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine
SMILESC1=CC=CC(c2ccc(N(C3=CC=C(c4ccc(N(c5ccccc5)c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)C=CC3)c3ccc(-c4ccccc4)cc3)cc2)C=C1
InChIInChI=1S/C62H48N2/c1-2-7-16-48(15-6-1)53-30-39-61(40-31-53)64(62-41-32-54(33-42-62)49-19-10-4-11-20-49)58-24-14-21-50(29-38-58)55-34-43-59(44-35-55)63(57-22-12-5-13-23-57)60-45-36-56(37-46-60)52-27-25-51(26-28-52)47-17-8-3-9-18-47/h1-23,25-46,48H,24H2
InChIKeyRHBPYPRJVQQQJU-UHFFFAOYSA-N
MW821.08 g/mol
LogP16.99
Rot. Bonds11

About N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine

N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine (PubChem CID 138723022) has the molecular formula C62H48N2 and a molecular weight of 821.08 g/mol. Its IUPAC name is N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine
PubChem CID138723022
Molecular FormulaC62H48N2
Molecular Weight821.08 g/mol
Exact Mass820.38
IUPAC NameN-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine
SMILESC1=CC=CC(c2ccc(N(C3=CC=C(c4ccc(N(c5ccccc5)c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)C=CC3)c3ccc(-c4ccccc4)cc3)cc2)C=C1
InChIInChI=1S/C62H48N2/c1-2-7-16-48(15-6-1)53-30-39-61(40-31-53)64(62-41-32-54(33-42-62)49-19-10-4-11-20-49)58-24-14-21-50(29-38-58)55-34-43-59(44-35-55)63(57-22-12-5-13-23-57)60-45-36-56(37-46-60)52-27-25-51(26-28-52)47-17-8-3-9-18-47/h1-23,25-46,48H,24H2
InChIKeyRHBPYPRJVQQQJU-UHFFFAOYSA-N
XLogP16.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.08
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
4-cyclohexa-2,4-dien-1-yl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]aniline
CID 145474495
1-N-cyclohepta-1,3,5-trien-1-yl-1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 142961371
N-phenyl-N-(4-phenylphenyl)-4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]cyclohexa-2,4-dien-1-yl]aniline
CID 134426748
N-phenyl-4-[4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 156569222
1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 89035334
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
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,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
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-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine?
The IUPAC name of N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine (CID 138723022) is N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine is C1=CC=CC(c2ccc(N(C3=CC=C(c4ccc(N(c5ccccc5)c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)cc4)C=CC3)c3ccc(-c4ccccc4)cc3)cc2)C=C1.
What is the InChIKey of N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine?
The InChIKey is RHBPYPRJVQQQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2/c1-2-7-16-48(15-6-1)53-30-39-61(40-31-53)64(62-41-32-54(33-42-62)49-19-10-4-11-20-49)58-24-14-21-50(29-38-58)55-34-43-59(44-35-55)63(57-22-12-5-13-23-57)60-45-36-56(37-46-60)52-27-25-51(26-28-52)47-17-8-3-9-18-47/h1-23,25-46,48H,24H2.
What are the key properties of N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine?
N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine has a molecular weight of 821.08 g/mol, XLogP of 16.99, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohepta-2,4,6-trien-1-ylphenyl)-N-(4-phenylphenyl)-4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]cyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 138723022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).