10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole

C31H22N2O — CID 135264426

IUPAC10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole
SMILESC=C/C=C\C(=C)c1cc(-c2ccccc2)nc(-n2c3ccccc3c3ccc4ccoc4c32)c1
InChIInChI=1S/C31H22N2O/c1-3-4-10-21(2)24-19-27(22-11-6-5-7-12-22)32-29(20-24)33-28-14-9-8-13-25(28)26-16-15-23-17-18-34-31(23)30(26)33/h3-20H,1-2H2/b10-4-
InChIKeyMBGRJOWHLFAQFR-WMZJFQQLSA-N
MW438.53 g/mol
LogP8.35
Rot. Bonds5

About 10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole

10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole (PubChem CID 135264426) has the molecular formula C31H22N2O and a molecular weight of 438.53 g/mol. Its IUPAC name is 10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole.

Molecular Properties

Compound Name10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole
PubChem CID135264426
Molecular FormulaC31H22N2O
Molecular Weight438.53 g/mol
Exact Mass438.17
IUPAC Name10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole
SMILESC=C/C=C\C(=C)c1cc(-c2ccccc2)nc(-n2c3ccccc3c3ccc4ccoc4c32)c1
InChIInChI=1S/C31H22N2O/c1-3-4-10-21(2)24-19-27(22-11-6-5-7-12-22)32-29(20-24)33-28-14-9-8-13-25(28)26-16-15-23-17-18-34-31(23)30(26)33/h3-20H,1-2H2/b10-4-
InChIKeyMBGRJOWHLFAQFR-WMZJFQQLSA-N
XLogP8.35
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 58.35
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

10-(4-hexa-1,3,5-trien-2-yl-6-phenyl-2-pyridinyl)furo[2,3-a]carbazole
CID 123657911
10-(6-phenyl-2-pyridinyl)furo[2,3-a]carbazole
CID 123314863
10-(6-phenyl-3-pyridinyl)furo[2,3-a]carbazole
CID 123773973
10-(4-pyridin-3-yl-2-pyridinyl)furo[2,3-a]carbazole
CID 123311907
12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 90085604
6-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylpyrimidin-2-yl]furo[3,2-c]carbazole
CID 135264453
12-(2,6-diphenylpyrimidin-4-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 121385306
6-(2,6-diphenyl-4-pyridinyl)furo[3,2-c]carbazole
CID 123472648
24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene
CID 121432196
24-(2,6-diphenylpyrimidin-4-yl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene
CID 121432185
9-[4-[4-[3-[(3Z)-hexa-1,3,5-trien-2-yl]-5-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3-phenylcarbazole
CID 155179728
9-(4,6-diphenyl-2-pyridinyl)-2-(2-ethenylphenyl)-1-methylcarbazole
CID 163744055

Frequently Asked Questions

What is the IUPAC name of 10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole?
The IUPAC name of 10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole (CID 135264426) is 10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole.
What is the SMILES notation for 10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole?
The canonical SMILES for 10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole is C=C/C=C\C(=C)c1cc(-c2ccccc2)nc(-n2c3ccccc3c3ccc4ccoc4c32)c1.
What is the InChIKey of 10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole?
The InChIKey is MBGRJOWHLFAQFR-WMZJFQQLSA-N. The full InChI is InChI=1S/C31H22N2O/c1-3-4-10-21(2)24-19-27(22-11-6-5-7-12-22)32-29(20-24)33-28-14-9-8-13-25(28)26-16-15-23-17-18-34-31(23)30(26)33/h3-20H,1-2H2/b10-4-.
What are the key properties of 10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole?
10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole has a molecular weight of 438.53 g/mol, XLogP of 8.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[(3Z)-hexa-1,3,5-trien-2-yl]-6-phenyl-2-pyridinyl]furo[2,3-a]carbazole is sourced from PubChem (CID 135264426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).