9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene

C60H50N2O — CID 144649919

IUPAC9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.CC/C=C(/C=C(\CCC)c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C51H40N2O.C9H10/c1-3-15-34(36-27-28-51-45(32-36)44-21-9-14-26-50(44)54-51)29-35(16-4-2)37-30-38(52-46-22-10-5-17-40(46)41-18-6-11-23-47(41)52)33-39(31-37)53-48-24-12-7-19-42(48)43-20-8-13-25-49(43)53;1-8(2)9-6-4-3-5-7-9/h5-15,17-33H,3-4,16H2,1-2H3;3-7H,1H2,2H3/b34-15-,35-29+;
InChIKeyPLKZZKFKDRWULR-DNYDBXKASA-N
MW815.07 g/mol
LogP17.18
Rot. Bonds9

About 9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene

9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene (PubChem CID 144649919) has the molecular formula C60H50N2O and a molecular weight of 815.07 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene
PubChem CID144649919
Molecular FormulaC60H50N2O
Molecular Weight815.07 g/mol
Exact Mass814.39
IUPAC Name9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1.CC/C=C(/C=C(\CCC)c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C51H40N2O.C9H10/c1-3-15-34(36-27-28-51-45(32-36)44-21-9-14-26-50(44)54-51)29-35(16-4-2)37-30-38(52-46-22-10-5-17-40(46)41-18-6-11-23-47(41)52)33-39(31-37)53-48-24-12-7-19-42(48)43-20-8-13-25-49(43)53;1-8(2)9-6-4-3-5-7-9/h5-15,17-33H,3-4,16H2,1-2H3;3-7H,1H2,2H3/b34-15-,35-29+;
InChIKeyPLKZZKFKDRWULR-DNYDBXKASA-N
XLogP17.18
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.07
LogP ≤ 517.18
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-[4-[4-[(4E,6Z)-6-(4-dibenzofuran-2-ylphenyl)nona-4,6-dien-4-yl]phenyl]phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indole;prop-1-en-2-ylbenzene
CID 144649943
1-[4-[4-[(4E,6Z)-6-(4-dibenzofuran-2-ylphenyl)nona-4,6-dien-4-yl]phenyl]phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indole
CID 144649944
9-[4-[(4E,6Z)-6-[4-(2-cyclobutylphenyl)-3-methylphenyl]nona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene
CID 144649896
2-prop-1-en-2-yldibenzofuran
CID 142504770
9-[4-[(E)-6-(4-phenylphenyl)non-4-en-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene
CID 144649951
9-[8-[(3Z)-penta-1,3-dien-2-yl]dibenzofuran-2-yl]carbazole
CID 144541208
9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole
CID 135258643
N-[(1Z,3Z)-1-[3-carbazol-9-yl-5-(8H-cyclohepta[b]indol-5-yl)phenyl]-3-phenylhexa-1,3-dienyl]-1-phenylethanimine
CID 143619851
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 151400345
(1E,3E)-2-carbazol-9-yl-4-[8-(3-dibenzofuran-2-ylphenyl)dibenzofuran-2-yl]penta-1,3-dien-1-amine
CID 144548891
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene?
The IUPAC name of 9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene (CID 144649919) is 9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene is C=C(C)c1ccccc1.CC/C=C(/C=C(\CCC)c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene?
The InChIKey is PLKZZKFKDRWULR-DNYDBXKASA-N. The full InChI is InChI=1S/C51H40N2O.C9H10/c1-3-15-34(36-27-28-51-45(32-36)44-21-9-14-26-50(44)54-51)29-35(16-4-2)37-30-38(52-46-22-10-5-17-40(46)41-18-6-11-23-47(41)52)33-39(31-37)53-48-24-12-7-19-42(48)43-20-8-13-25-49(43)53;1-8(2)9-6-4-3-5-7-9/h5-15,17-33H,3-4,16H2,1-2H3;3-7H,1H2,2H3/b34-15-,35-29+;.
What are the key properties of 9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene?
9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene has a molecular weight of 815.07 g/mol, XLogP of 17.18, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene is sourced from PubChem (CID 144649919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).