N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline

C51H42N2 — CID 134320769

IUPACN-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline
SMILESC/C=C(\C=C/CC)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3ccn4-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C51H42N2/c1-3-5-16-38(4-2)40-25-29-44(30-26-40)53(45-31-27-41(28-32-45)39-17-9-6-10-18-39)46-33-34-48(50(37-46)42-19-11-7-12-20-42)47-23-15-24-51-49(47)35-36-52(51)43-21-13-8-14-22-43/h4-37H,3H2,1-2H3/b16-5-,38-4+
InChIKeyHREZAIOHUZWNGA-UAMVCMPMSA-N
MW682.91 g/mol
LogP14.47
Rot. Bonds10

About N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline

N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline (PubChem CID 134320769) has the molecular formula C51H42N2 and a molecular weight of 682.91 g/mol. Its IUPAC name is N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline
PubChem CID134320769
Molecular FormulaC51H42N2
Molecular Weight682.91 g/mol
Exact Mass682.33
IUPAC NameN-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline
SMILESC/C=C(\C=C/CC)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3ccn4-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C51H42N2/c1-3-5-16-38(4-2)40-25-29-44(30-26-40)53(45-31-27-41(28-32-45)39-17-9-6-10-18-39)46-33-34-48(50(37-46)42-19-11-7-12-20-42)47-23-15-24-51-49(47)35-36-52(51)43-21-13-8-14-22-43/h4-37H,3H2,1-2H3/b16-5-,38-4+
InChIKeyHREZAIOHUZWNGA-UAMVCMPMSA-N
XLogP14.47
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.91
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 118601869
N,4-diphenyl-N-[4-[4-[4-(N-[4-(1-phenylindol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]aniline;N,4-diphenyl-N-[4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline;N-(4-naphthalen-2-ylphenyl)-4-[4-[4-(N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 162135507
4-[2-methyl-3-(2-methylphenyl)phenyl]-3-phenyl-N-[(2Z,4E)-4-(4-phenylphenyl)hexa-2,4-dienyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134320887
N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline
CID 129130507
ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390494
N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
CID 155377108
N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)-2-phenylphenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 20758364
N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline
CID 134194343
4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline
CID 122470453
N,16-diphenyl-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine;N-phenyl-16-(3-phenylphenyl)-N-(4-phenylphenyl)-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2(7),3,5,8,10,12,14,17,19-decaen-5-amine
CID 158868757
N-[4-[4-(20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]phenyl]-N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-4-phenylaniline
CID 142363433
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline (CID 134320769) is N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline is C/C=C(\C=C/CC)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4c3ccn4-c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is HREZAIOHUZWNGA-UAMVCMPMSA-N. The full InChI is InChI=1S/C51H42N2/c1-3-5-16-38(4-2)40-25-29-44(30-26-40)53(45-31-27-41(28-32-45)39-17-9-6-10-18-39)46-33-34-48(50(37-46)42-19-11-7-12-20-42)47-23-15-24-51-49(47)35-36-52(51)43-21-13-8-14-22-43/h4-37H,3H2,1-2H3/b16-5-,38-4+.
What are the key properties of N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline?
N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 682.91 g/mol, XLogP of 14.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-3-phenyl-4-(1-phenylindol-4-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 134320769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).