N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline

C64H50N4 — CID 137428152

IUPACN-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
SMILESC1=CCCC(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-n5c(-c6ccccc6)cc6ccccc65)cc4)cc3)cc2)C2C=CC(n3c(-c4ccccc4)cc4ccccc43)=CC2)=C1
InChIInChI=1S/C64H50N4/c1-5-17-49(18-6-1)63-45-51-21-13-15-27-61(51)67(63)59-41-37-57(38-42-59)65(53-23-9-3-10-24-53)55-33-29-47(30-34-55)48-31-35-56(36-32-48)66(54-25-11-4-12-26-54)58-39-43-60(44-40-58)68-62-28-16-14-22-52(62)46-64(68)50-19-7-2-8-20-50/h1-11,13-25,27-39,41-46,58H,12,26,40H2
InChIKeyXTAGYJWSYPSEGH-UHFFFAOYSA-N
MW875.13 g/mol
LogP16.97
Rot. Bonds11

About N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline

N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline (PubChem CID 137428152) has the molecular formula C64H50N4 and a molecular weight of 875.13 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
PubChem CID137428152
Molecular FormulaC64H50N4
Molecular Weight875.13 g/mol
Exact Mass874.40
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
SMILESC1=CCCC(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-n5c(-c6ccccc6)cc6ccccc65)cc4)cc3)cc2)C2C=CC(n3c(-c4ccccc4)cc4ccccc43)=CC2)=C1
InChIInChI=1S/C64H50N4/c1-5-17-49(18-6-1)63-45-51-21-13-15-27-61(51)67(63)59-41-37-57(38-42-59)65(53-23-9-3-10-24-53)55-33-29-47(30-34-55)48-31-35-56(36-32-48)66(54-25-11-4-12-26-54)58-39-43-60(44-40-58)68-62-28-16-14-22-52(62)46-64(68)50-19-7-2-8-20-50/h1-11,13-25,27-39,41-46,58H,12,26,40H2
InChIKeyXTAGYJWSYPSEGH-UHFFFAOYSA-N
XLogP16.97
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.13
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
CID 144768904
N,N-diphenyl-4-(1-phenylindol-2-yl)aniline
CID 59993805
N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline
CID 139339392
N-(4-benzo[c]phenanthren-5-ylcyclohexa-2,4-dien-1-yl)-N-cyclohexa-1,3-dien-1-yl-4-naphthalen-2-ylaniline
CID 170226556
N-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2-phenylindol-1-yl)phenyl]phenyl]naphthalen-1-amine
CID 134236286
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine
CID 126727435
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
4-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 170131651
1-[4-(N-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-4-phenylanilino)phenyl]-3-phenylbenzimidazol-2-one
CID 71080500
N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine
CID 134591959
N-phenyl-N-[4-(1-phenylindol-2-yl)phenyl]naphthalen-1-amine
CID 145013973

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline (CID 137428152) is N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline is C1=CCCC(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-n5c(-c6ccccc6)cc6ccccc65)cc4)cc3)cc2)C2C=CC(n3c(-c4ccccc4)cc4ccccc43)=CC2)=C1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline?
The InChIKey is XTAGYJWSYPSEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50N4/c1-5-17-49(18-6-1)63-45-51-21-13-15-27-61(51)67(63)59-41-37-57(38-42-59)65(53-23-9-3-10-24-53)55-33-29-47(30-34-55)48-31-35-56(36-32-48)66(54-25-11-4-12-26-54)58-39-43-60(44-40-58)68-62-28-16-14-22-52(62)46-64(68)50-19-7-2-8-20-50/h1-11,13-25,27-39,41-46,58H,12,26,40H2.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline?
N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline has a molecular weight of 875.13 g/mol, XLogP of 16.97, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-[4-(2-phenylindol-1-yl)cyclohexa-2,4-dien-1-yl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline is sourced from PubChem (CID 137428152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).