N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline

C37H30N2 — CID 145290878

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline
SMILESC=C/C=C\C=C/Cc1ccc(Nc2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C37H30N2/c1-2-3-4-5-6-11-28-16-22-31(23-17-28)38-32-24-18-29(19-25-32)30-20-26-33(27-21-30)39-36-14-9-7-12-34(36)35-13-8-10-15-37(35)39/h2-10,12-27,38H,1,11H2/b4-3-,6-5-
InChIKeyJSSWCHWURUYWNA-OUPQRBNQSA-N
MW502.66 g/mol
LogP10.04
Rot. Bonds8

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline (PubChem CID 145290878) has the molecular formula C37H30N2 and a molecular weight of 502.66 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline
PubChem CID145290878
Molecular FormulaC37H30N2
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline
SMILESC=C/C=C\C=C/Cc1ccc(Nc2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C37H30N2/c1-2-3-4-5-6-11-28-16-22-31(23-17-28)38-32-24-18-29(19-25-32)30-20-26-33(27-21-30)39-36-14-9-7-12-34(36)35-13-8-10-15-37(35)39/h2-10,12-27,38H,1,11H2/b4-3-,6-5-
InChIKeyJSSWCHWURUYWNA-OUPQRBNQSA-N
XLogP10.04
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 510.04
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-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 134380568
4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 177116992
N-[4-(4-ethenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 166647227
4-[(2Z,4Z)-hexa-2,4-dienyl]-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 155096737
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole
CID 144541203
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 142745530
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline
CID 158400459
N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 159366258

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline (CID 145290878) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline is C=C/C=C\C=C/Cc1ccc(Nc2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline?
The InChIKey is JSSWCHWURUYWNA-OUPQRBNQSA-N. The full InChI is InChI=1S/C37H30N2/c1-2-3-4-5-6-11-28-16-22-31(23-17-28)38-32-24-18-29(19-25-32)30-20-26-33(27-21-30)39-36-14-9-7-12-34(36)35-13-8-10-15-37(35)39/h2-10,12-27,38H,1,11H2/b4-3-,6-5-.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline has a molecular weight of 502.66 g/mol, XLogP of 10.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[(2Z,4Z)-hepta-2,4,6-trienyl]aniline is sourced from PubChem (CID 145290878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).