1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole

C60H43N3 — CID 170372022

IUPAC1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole
SMILESC/C=C(\C=C(/C)c1ccccc1)c1cc(-c2ccccc2)cc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c32)c1
InChIInChI=1S/C60H43N3/c1-3-41(35-40(2)42-19-6-4-7-20-42)44-36-45(43-21-8-5-9-22-43)38-47(37-44)62-56-30-16-12-25-50(56)52-27-18-32-59(60(52)62)63-57-31-17-13-26-51(57)53-39-46(33-34-58(53)63)61-54-28-14-10-23-48(54)49-24-11-15-29-55(49)61/h3-39H,1-2H3/b40-35+,41-3+
InChIKeyHFCYNZDRULSGMP-MXPODNMPSA-N
MW806.03 g/mol
LogP16.15
Rot. Bonds7

About 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole

1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole (PubChem CID 170372022) has the molecular formula C60H43N3 and a molecular weight of 806.03 g/mol. Its IUPAC name is 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole
PubChem CID170372022
Molecular FormulaC60H43N3
Molecular Weight806.03 g/mol
Exact Mass805.35
IUPAC Name1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole
SMILESC/C=C(\C=C(/C)c1ccccc1)c1cc(-c2ccccc2)cc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c32)c1
InChIInChI=1S/C60H43N3/c1-3-41(35-40(2)42-19-6-4-7-20-42)44-36-45(43-21-8-5-9-22-43)38-47(37-44)62-56-30-16-12-25-50(56)52-27-18-32-59(60(52)62)63-57-31-17-13-26-51(57)53-39-46(33-34-58(53)63)61-54-28-14-10-23-48(54)49-24-11-15-29-55(49)61/h3-39H,1-2H3/b40-35+,41-3+
InChIKeyHFCYNZDRULSGMP-MXPODNMPSA-N
XLogP16.15
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.03
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-carbazol-9-ylcarbazol-9-yl)-9-[(2E,4E)-5-(3-phenylphenyl)hexa-2,4-dien-3-yl]carbazole
CID 170371867
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170374776
1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659725
1,3-di(carbazol-9-yl)-9-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]carbazole;1,3-di(carbazol-9-yl)-9-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-6-phenylcarbazole
CID 158684229
1-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-9-(6,9-diphenylcarbazol-3-yl)carbazole;1-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)-9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazole
CID 157284069
3-[9-[4-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 171812828
3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole
CID 138601418
7-[9-(3-phenylphenyl)carbazol-3-yl]-5-[3-phenyl-5-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 156674054
triphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-1-yl]carbazol-3-yl]silane
CID 170515471
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole?
The IUPAC name of 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole (CID 170372022) is 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole.
What is the SMILES notation for 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole?
The canonical SMILES for 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole is C/C=C(\C=C(/C)c1ccccc1)c1cc(-c2ccccc2)cc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c32)c1.
What is the InChIKey of 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole?
The InChIKey is HFCYNZDRULSGMP-MXPODNMPSA-N. The full InChI is InChI=1S/C60H43N3/c1-3-41(35-40(2)42-19-6-4-7-20-42)44-36-45(43-21-8-5-9-22-43)38-47(37-44)62-56-30-16-12-25-50(56)52-27-18-32-59(60(52)62)63-57-31-17-13-26-51(57)53-39-46(33-34-58(53)63)61-54-28-14-10-23-48(54)49-24-11-15-29-55(49)61/h3-39H,1-2H3/b40-35+,41-3+.
What are the key properties of 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole?
1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole has a molecular weight of 806.03 g/mol, XLogP of 16.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbazol-9-ylcarbazol-9-yl)-9-[3-phenyl-5-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]phenyl]carbazole is sourced from PubChem (CID 170372022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).