3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole

C73H54N2 — CID 145109868

IUPAC3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole
SMILESC=C/C(=C\C=C/C)c1ccc(-c2ccccc2)c2c1c1cccc(-c3ccc4c(c3)c3cc(C5=CC=CCC5)cc(-c5ccccc5)c3n4-c3cccc(-c4ccccc4)c3)c1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C73H54N2/c1-3-5-23-50(4-2)62-43-44-64(55-30-17-9-18-31-55)73-70(62)65-37-22-36-63(71(65)75(73)60-41-38-54(39-42-60)51-24-11-6-12-25-51)58-40-45-69-67(47-58)68-49-59(53-28-15-8-16-29-53)48-66(56-32-19-10-20-33-56)72(68)74(69)61-35-21-34-57(46-61)52-26-13-7-14-27-52/h3-15,17-28,30-49H,2,16,29H2,1H3/b5-3-,50-23+
InChIKeySEAGFPLWRJUUDX-RFKBNYBASA-N
MW959.25 g/mol
LogP20.09
Rot. Bonds11

About 3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole

3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole (PubChem CID 145109868) has the molecular formula C73H54N2 and a molecular weight of 959.25 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole
PubChem CID145109868
Molecular FormulaC73H54N2
Molecular Weight959.25 g/mol
Exact Mass958.43
IUPAC Name3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole
SMILESC=C/C(=C\C=C/C)c1ccc(-c2ccccc2)c2c1c1cccc(-c3ccc4c(c3)c3cc(C5=CC=CCC5)cc(-c5ccccc5)c3n4-c3cccc(-c4ccccc4)c3)c1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C73H54N2/c1-3-5-23-50(4-2)62-43-44-64(55-30-17-9-18-31-55)73-70(62)65-37-22-36-63(71(65)75(73)60-41-38-54(39-42-60)51-24-11-6-12-25-51)58-40-45-69-67(47-58)68-49-59(53-28-15-8-16-29-53)48-66(56-32-19-10-20-33-56)72(68)74(69)61-35-21-34-57(46-61)52-26-13-7-14-27-52/h3-15,17-28,30-49H,2,16,29H2,1H3/b5-3-,50-23+
InChIKeySEAGFPLWRJUUDX-RFKBNYBASA-N
XLogP20.09
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.25
LogP ≤ 520.09
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

3-cyclohexa-1,5-dien-1-yl-6-[8-[(2Z,4E)-hepta-2,4-dien-4-yl]-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylcarbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole;ethane
CID 145109902
9-[3-(4-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 166702950
1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole
CID 121449215
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
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole
CID 168762802
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
3-[9-(3,5-diphenylphenyl)carbazol-1-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159712744
6-naphthalen-1-yl-1,3,9-triphenylcarbazole
CID 118448580
3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole
CID 145109894
3-cyclohexa-1,3-dien-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole
CID 134447534

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole (CID 145109868) is 3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole is C=C/C(=C\C=C/C)c1ccc(-c2ccccc2)c2c1c1cccc(-c3ccc4c(c3)c3cc(C5=CC=CCC5)cc(-c5ccccc5)c3n4-c3cccc(-c4ccccc4)c3)c1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole?
The InChIKey is SEAGFPLWRJUUDX-RFKBNYBASA-N. The full InChI is InChI=1S/C73H54N2/c1-3-5-23-50(4-2)62-43-44-64(55-30-17-9-18-31-55)73-70(62)65-37-22-36-63(71(65)75(73)60-41-38-54(39-42-60)51-24-11-6-12-25-51)58-40-45-69-67(47-58)68-49-59(53-28-15-8-16-29-53)48-66(56-32-19-10-20-33-56)72(68)74(69)61-35-21-34-57(46-61)52-26-13-7-14-27-52/h3-15,17-28,30-49H,2,16,29H2,1H3/b5-3-,50-23+.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole?
3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole has a molecular weight of 959.25 g/mol, XLogP of 20.09, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-6-[5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-8-phenyl-9-(4-phenylphenyl)carbazol-1-yl]-1-phenyl-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 145109868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).