9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane

C30H33N — CID 154692605

IUPAC9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane
SMILESC1=CCC=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)C=C1.CC.CCC
InChIInChI=1S/C25H19N.C3H8.C2H6/c1-2-4-10-19(9-3-1)20-15-17-21(18-16-20)26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26;1-3-2;1-2/h1-3,5-18H,4H2;3H2,1-2H3;1-2H3
InChIKeyHJFRKYGRPWFIFK-UHFFFAOYSA-N
MW407.60 g/mol
LogP9.13
Rot. Bonds2

About 9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane

9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane (PubChem CID 154692605) has the molecular formula C30H33N and a molecular weight of 407.60 g/mol. Its IUPAC name is 9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane.

Molecular Properties

Compound Name9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane
PubChem CID154692605
Molecular FormulaC30H33N
Molecular Weight407.60 g/mol
Exact Mass407.26
IUPAC Name9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane
SMILESC1=CCC=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)C=C1.CC.CCC
InChIInChI=1S/C25H19N.C3H8.C2H6/c1-2-4-10-19(9-3-1)20-15-17-21(18-16-20)26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26;1-3-2;1-2/h1-3,5-18H,4H2;3H2,1-2H3;1-2H3
InChIKeyHJFRKYGRPWFIFK-UHFFFAOYSA-N
XLogP9.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane?
The IUPAC name of 9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane (CID 154692605) is 9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane.
What is the SMILES notation for 9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane?
The canonical SMILES for 9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane is C1=CCC=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)C=C1.CC.CCC.
What is the InChIKey of 9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane?
The InChIKey is HJFRKYGRPWFIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N.C3H8.C2H6/c1-2-4-10-19(9-3-1)20-15-17-21(18-16-20)26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26;1-3-2;1-2/h1-3,5-18H,4H2;3H2,1-2H3;1-2H3.
What are the key properties of 9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane?
9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane has a molecular weight of 407.60 g/mol, XLogP of 9.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane is sourced from PubChem (CID 154692605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).