3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole

C25H19N — CID 138714442

IUPAC3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole
SMILESC1=CC=C(c2ccc3[nH]c4ccc(-c5ccccc5)cc4c3c2)CC=C1
InChIInChI=1S/C25H19N/c1-2-5-9-18(8-4-1)20-12-14-24-22(16-20)23-17-21(13-15-25(23)26-24)19-10-6-3-7-11-19/h1-8,10-17,26H,9H2
InChIKeyDECTVBNIVXPVRT-UHFFFAOYSA-N
MW333.43 g/mol
LogP6.89
Rot. Bonds2

About 3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole

3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole (PubChem CID 138714442) has the molecular formula C25H19N and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole.

Molecular Properties

Compound Name3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole
PubChem CID138714442
Molecular FormulaC25H19N
Molecular Weight333.43 g/mol
Exact Mass333.15
IUPAC Name3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole
SMILESC1=CC=C(c2ccc3[nH]c4ccc(-c5ccccc5)cc4c3c2)CC=C1
InChIInChI=1S/C25H19N/c1-2-5-9-18(8-4-1)20-12-14-24-22(16-20)23-17-21(13-15-25(23)26-24)19-10-6-3-7-11-19/h1-8,10-17,26H,9H2
InChIKeyDECTVBNIVXPVRT-UHFFFAOYSA-N
XLogP6.89
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole?
The IUPAC name of 3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole (CID 138714442) is 3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole.
What is the SMILES notation for 3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole?
The canonical SMILES for 3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole is C1=CC=C(c2ccc3[nH]c4ccc(-c5ccccc5)cc4c3c2)CC=C1.
What is the InChIKey of 3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole?
The InChIKey is DECTVBNIVXPVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N/c1-2-5-9-18(8-4-1)20-12-14-24-22(16-20)23-17-21(13-15-25(23)26-24)19-10-6-3-7-11-19/h1-8,10-17,26H,9H2.
What are the key properties of 3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole?
3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole has a molecular weight of 333.43 g/mol, XLogP of 6.89, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohepta-1,3,5-trien-1-yl-6-phenyl-9H-carbazole is sourced from PubChem (CID 138714442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).