N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine

C72H56N2 — CID 170244953

IUPACN-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine
SMILESc1c(-c2ccccc2)ccc(N(c2ccc(C3=CCCC=C3)cc2)c2ccc(-c3ccc(N(c4ccc(C5=CCCC=C5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c3)cc2C2=CC=CCC2)c#1
InChIInChI=1S/C72H56N2/c1-7-19-53(20-8-1)57-31-41-65(42-32-57)73(66-43-33-58(34-44-66)54-21-9-2-10-22-54)71-49-39-63(51-69(71)61-27-15-5-16-28-61)64-40-50-72(70(52-64)62-29-17-6-18-30-62)74(67-45-35-59(36-46-67)55-23-11-3-12-24-55)68-47-37-60(38-48-68)56-25-13-4-14-26-56/h1,3,5-9,11-13,15-17,19-29,31-35,37-45,47-52H,2,4,10,14,18,30H2
InChIKeyYHOWAXCTAGJOQB-UHFFFAOYSA-N
MW949.25 g/mol
LogP20.09
Rot. Bonds13

About N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine

N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine (PubChem CID 170244953) has the molecular formula C72H56N2 and a molecular weight of 949.25 g/mol. Its IUPAC name is N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine
PubChem CID170244953
Molecular FormulaC72H56N2
Molecular Weight949.25 g/mol
Exact Mass948.44
IUPAC NameN-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine
SMILESc1c(-c2ccccc2)ccc(N(c2ccc(C3=CCCC=C3)cc2)c2ccc(-c3ccc(N(c4ccc(C5=CCCC=C5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c3)cc2C2=CC=CCC2)c#1
InChIInChI=1S/C72H56N2/c1-7-19-53(20-8-1)57-31-41-65(42-32-57)73(66-43-33-58(34-44-66)54-21-9-2-10-22-54)71-49-39-63(51-69(71)61-27-15-5-16-28-61)64-40-50-72(70(52-64)62-29-17-6-18-30-62)74(67-45-35-59(36-46-67)55-23-11-3-12-24-55)68-47-37-60(38-48-68)56-25-13-4-14-26-56/h1,3,5-9,11-13,15-17,19-29,31-35,37-45,47-52H,2,4,10,14,18,30H2
InChIKeyYHOWAXCTAGJOQB-UHFFFAOYSA-N
XLogP20.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.25
LogP ≤ 520.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine with MolForge

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Related Compounds

2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-19-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 166702925
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[3-cyclohexa-1,3-dien-1-yl-4-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 134194351
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170299190
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175611148
4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]cyclohexa-1,3-dien-5-yn-1-amine
CID 145018334
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167235532

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine?
The IUPAC name of N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine (CID 170244953) is N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine.
What is the SMILES notation for N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine?
The canonical SMILES for N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine is c1c(-c2ccccc2)ccc(N(c2ccc(C3=CCCC=C3)cc2)c2ccc(-c3ccc(N(c4ccc(C5=CCCC=C5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c3)cc2C2=CC=CCC2)c#1.
What is the InChIKey of N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine?
The InChIKey is YHOWAXCTAGJOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N2/c1-7-19-53(20-8-1)57-31-41-65(42-32-57)73(66-43-33-58(34-44-66)54-21-9-2-10-22-54)71-49-39-63(51-69(71)61-27-15-5-16-28-61)64-40-50-72(70(52-64)62-29-17-6-18-30-62)74(67-45-35-59(36-46-67)55-23-11-3-12-24-55)68-47-37-60(38-48-68)56-25-13-4-14-26-56/h1,3,5-9,11-13,15-17,19-29,31-35,37-45,47-52H,2,4,10,14,18,30H2.
What are the key properties of N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine?
N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine has a molecular weight of 949.25 g/mol, XLogP of 20.09, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine is sourced from PubChem (CID 170244953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).