3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole

C43H30N2 — CID 144941675

IUPAC3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
SMILESC#C/C=C\C=C(/C)c1cc(-c2ccccc2)c2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C43H30N2/c1-3-4-7-16-30(2)32-27-37(31-17-8-5-9-18-31)43-39(28-32)36-22-13-15-24-41(36)45(43)34-25-26-42-38(29-34)35-21-12-14-23-40(35)44(42)33-19-10-6-11-20-33/h1,4-29H,2H3/b7-4-,30-16+
InChIKeyAHTBFNFDBPUTJL-JRZBESNRSA-N
MW574.73 g/mol
LogP11.14
Rot. Bonds5

About 3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole

3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 144941675) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
PubChem CID144941675
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC Name3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
SMILESC#C/C=C\C=C(/C)c1cc(-c2ccccc2)c2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C43H30N2/c1-3-4-7-16-30(2)32-27-37(31-17-8-5-9-18-31)43-39(28-32)36-22-13-15-24-41(36)45(43)34-25-26-42-38(29-34)35-21-12-14-23-40(35)44(42)33-19-10-6-11-20-33/h1,4-29H,2H3/b7-4-,30-16+
InChIKeyAHTBFNFDBPUTJL-JRZBESNRSA-N
XLogP11.14
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-carbazol-9-yl-9-phenyl-1-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 138705475
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425
6-methyl-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170365229
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
9-(9-phenylcarbazol-3-yl)-1-(2-phenylphenyl)carbazol-2-ol
CID 122632431
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
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3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole (CID 144941675) is 3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole is C#C/C=C\C=C(/C)c1cc(-c2ccccc2)c2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is AHTBFNFDBPUTJL-JRZBESNRSA-N. The full InChI is InChI=1S/C43H30N2/c1-3-4-7-16-30(2)32-27-37(31-17-8-5-9-18-31)43-39(28-32)36-22-13-15-24-41(36)45(43)34-25-26-42-38(29-34)35-21-12-14-23-40(35)44(42)33-19-10-6-11-20-33/h1,4-29H,2H3/b7-4-,30-16+.
What are the key properties of 3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole?
3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 574.73 g/mol, XLogP of 11.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-1-phenyl-9-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 144941675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).