4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline

C42H42N2 — CID 166826431

IUPAC4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline
SMILESC=C/C=C(\C=C)N(C(/C=C\C/C(=C/C)CCC)=C/C)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C42H42N2/c1-6-16-32(8-3)18-15-19-36(10-5)43(35(9-4)17-7-2)37-28-24-33(25-29-37)34-26-30-38(31-27-34)44-41-22-13-11-20-39(41)40-21-12-14-23-42(40)44/h7-15,17,19-31H,2,4,6,16,18H2,1,3,5H3/b19-15-,32-8+,35-17+,36-10+
InChIKeyWBOYNNKDEROIQR-HCJISAKVSA-N
MW574.81 g/mol
LogP12.11
Rot. Bonds12

About 4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline

4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline (PubChem CID 166826431) has the molecular formula C42H42N2 and a molecular weight of 574.81 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline
PubChem CID166826431
Molecular FormulaC42H42N2
Molecular Weight574.81 g/mol
Exact Mass574.33
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline
SMILESC=C/C=C(\C=C)N(C(/C=C\C/C(=C/C)CCC)=C/C)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C42H42N2/c1-6-16-32(8-3)18-15-19-36(10-5)43(35(9-4)17-7-2)37-28-24-33(25-29-37)34-26-30-38(31-27-34)44-41-22-13-11-20-39(41)40-21-12-14-23-42(40)44/h7-15,17,19-31H,2,4,6,16,18H2,1,3,5H3/b19-15-,32-8+,35-17+,36-10+
InChIKeyWBOYNNKDEROIQR-HCJISAKVSA-N
XLogP12.11
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.81
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 144884698
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline
CID 142868290
4-[4-(N-[(3Z)-5-[4-(N-[4-[4-(N-[(3Z)-5-[8-[4-[4-[[(3Z)-hexa-1,3,5-trien-2-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]dibenzofuran-2-yl]hexa-1,3,5-trien-2-yl]anilino)phenyl]phenyl]anilino)phenyl]hexa-1,3,5-trien-2-yl]anilino)phenyl]-N-phenyl-N-[4-[8-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]aniline
CID 58536427
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
4-phenyl-N-[4-[4-(N-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 58536455

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline (CID 166826431) is 4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline is C=C/C=C(\C=C)N(C(/C=C\C/C(=C/C)CCC)=C/C)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline?
The InChIKey is WBOYNNKDEROIQR-HCJISAKVSA-N. The full InChI is InChI=1S/C42H42N2/c1-6-16-32(8-3)18-15-19-36(10-5)43(35(9-4)17-7-2)37-28-24-33(25-29-37)34-26-30-38(31-27-34)44-41-22-13-11-20-39(41)40-21-12-14-23-42(40)44/h7-15,17,19-31H,2,4,6,16,18H2,1,3,5H3/b19-15-,32-8+,35-17+,36-10+.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline?
4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline has a molecular weight of 574.81 g/mol, XLogP of 12.11, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-[(2E,4Z,7E)-7-ethylidenedeca-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline is sourced from PubChem (CID 166826431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).