9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

C28H23N — CID 87061574

IUPAC9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
SMILESC(/C=C/c1ccccc1)=C\c1ccccc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C16H14.C12H9N/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-14H;1-8,13H/b13-7+,14-8+;
InChIKeyBDNDMBKIMLHYGF-IOJPAMHKSA-N
MW373.50 g/mol
LogP7.73
Rot. Bonds3

About 9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene

9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene (PubChem CID 87061574) has the molecular formula C28H23N and a molecular weight of 373.50 g/mol. Its IUPAC name is 9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
PubChem CID87061574
Molecular FormulaC28H23N
Molecular Weight373.50 g/mol
Exact Mass373.18
IUPAC Name9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
SMILESC(/C=C/c1ccccc1)=C\c1ccccc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C16H14.C12H9N/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-14H;1-8,13H/b13-7+,14-8+;
InChIKeyBDNDMBKIMLHYGF-IOJPAMHKSA-N
XLogP7.73
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9H-carbazole;copper
CID 159878189
4-phenylbuta-1,3-dienylbenzene
CID 162273071
9H-carbazole
CID 66668984
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
bis(9H-carbazole);platinum(2+)
CID 175826437
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
9H-carbazole;bis(N,N-diphenylaniline)
CID 174838898
9H-carbazole;carbonic acid
CID 67577328
3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole
CID 163731823
bromomethane;9H-carbazole
CID 67594562

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The IUPAC name of 9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene (CID 87061574) is 9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene.
What is the SMILES notation for 9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The canonical SMILES for 9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene is C(/C=C/c1ccccc1)=C\c1ccccc1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
The InChIKey is BDNDMBKIMLHYGF-IOJPAMHKSA-N. The full InChI is InChI=1S/C16H14.C12H9N/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-14H;1-8,13H/b13-7+,14-8+;.
What are the key properties of 9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene?
9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene has a molecular weight of 373.50 g/mol, XLogP of 7.73, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 87061574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).