2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline

C55H42N2 — CID 121343578

IUPAC2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
SMILESC=C(/C=C\C=C/C)c1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3)c2)ccc1Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C55H42N2/c1-3-4-7-18-39(2)48-27-12-13-28-49(48)51-37-44(31-33-53(51)56-46-25-16-23-42(35-46)40-19-8-5-9-20-40)45-32-34-55-52(38-45)50-29-14-15-30-54(50)57(55)47-26-17-24-43(36-47)41-21-10-6-11-22-41/h3-38,56H,2H2,1H3/b4-3-,18-7-
InChIKeyRSXMFYKPUKRJMV-WBEPSJDQSA-N
MW730.96 g/mol
LogP15.34
Rot. Bonds10

About 2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline

2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline (PubChem CID 121343578) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is 2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline.

Molecular Properties

Compound Name2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
PubChem CID121343578
Molecular FormulaC55H42N2
Molecular Weight730.96 g/mol
Exact Mass730.33
IUPAC Name2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
SMILESC=C(/C=C\C=C/C)c1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3)c2)ccc1Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C55H42N2/c1-3-4-7-18-39(2)48-27-12-13-28-49(48)51-37-44(31-33-53(51)56-46-25-16-23-42(35-46)40-19-8-5-9-20-40)45-32-34-55-52(38-45)50-29-14-15-30-54(50)57(55)47-26-17-24-43(36-47)41-21-10-6-11-22-41/h3-38,56H,2H2,1H3/b4-3-,18-7-
InChIKeyRSXMFYKPUKRJMV-WBEPSJDQSA-N
XLogP15.34
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.96
LogP ≤ 515.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 118907859
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121360373
N-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-[3-(3-phenylphenyl)phenyl]carbazol-4-amine
CID 154972655
N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
N-[3-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-4-(9-phenylcarbazol-3-yl)-2-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 134236916
2-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;3-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-naphthalen-2-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 158992655
2-(9,9-dimethylfluoren-4-yl)-N-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 121343863
N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 59827989
N-(3-carbazol-9-ylphenyl)-2-phenylaniline
CID 70950994
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline?
The IUPAC name of 2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline (CID 121343578) is 2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline.
What is the SMILES notation for 2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline?
The canonical SMILES for 2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline is C=C(/C=C\C=C/C)c1ccccc1-c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3ccccc3)c2)ccc1Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline?
The InChIKey is RSXMFYKPUKRJMV-WBEPSJDQSA-N. The full InChI is InChI=1S/C55H42N2/c1-3-4-7-18-39(2)48-27-12-13-28-49(48)51-37-44(31-33-53(51)56-46-25-16-23-42(35-46)40-19-8-5-9-20-40)45-32-34-55-52(38-45)50-29-14-15-30-54(50)57(55)47-26-17-24-43(36-47)41-21-10-6-11-22-41/h3-38,56H,2H2,1H3/b4-3-,18-7-.
What are the key properties of 2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline?
2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline has a molecular weight of 730.96 g/mol, XLogP of 15.34, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-N-(3-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline is sourced from PubChem (CID 121343578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).