9-phenyl-4,4a-dihydrocarbazole

C18H15N — CID 139382101

IUPAC9-phenyl-4,4a-dihydrocarbazole
SMILESC1=CCC2C(=C1)N(c1ccccc1)c1ccccc12
InChIInChI=1S/C18H15N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-10,12-13,16H,11H2
InChIKeyGKFZBIKMJGUSKF-UHFFFAOYSA-N
MW245.33 g/mol
LogP4.77
Rot. Bonds1

About 9-phenyl-4,4a-dihydrocarbazole

9-phenyl-4,4a-dihydrocarbazole (PubChem CID 139382101) has the molecular formula C18H15N and a molecular weight of 245.33 g/mol. Its IUPAC name is 9-phenyl-4,4a-dihydrocarbazole.

Molecular Properties

Compound Name9-phenyl-4,4a-dihydrocarbazole
PubChem CID139382101
Molecular FormulaC18H15N
Molecular Weight245.33 g/mol
Exact Mass245.12
IUPAC Name9-phenyl-4,4a-dihydrocarbazole
SMILESC1=CCC2C(=C1)N(c1ccccc1)c1ccccc12
InChIInChI=1S/C18H15N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-10,12-13,16H,11H2
InChIKeyGKFZBIKMJGUSKF-UHFFFAOYSA-N
XLogP4.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4,4a-dihydrocarbazole?
The IUPAC name of 9-phenyl-4,4a-dihydrocarbazole (CID 139382101) is 9-phenyl-4,4a-dihydrocarbazole.
What is the SMILES notation for 9-phenyl-4,4a-dihydrocarbazole?
The canonical SMILES for 9-phenyl-4,4a-dihydrocarbazole is C1=CCC2C(=C1)N(c1ccccc1)c1ccccc12.
What is the InChIKey of 9-phenyl-4,4a-dihydrocarbazole?
The InChIKey is GKFZBIKMJGUSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-10,12-13,16H,11H2.
What are the key properties of 9-phenyl-4,4a-dihydrocarbazole?
9-phenyl-4,4a-dihydrocarbazole has a molecular weight of 245.33 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4,4a-dihydrocarbazole is sourced from PubChem (CID 139382101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).