5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole

C22H25N — CID 146239877

IUPAC5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
SMILESCC1CCC(C)C(c2ccccc2)c2c1n(C)c1ccccc21
InChIInChI=1S/C22H25N/c1-15-13-14-16(2)22-21(20(15)17-9-5-4-6-10-17)18-11-7-8-12-19(18)23(22)3/h4-12,15-16,20H,13-14H2,1-3H3
InChIKeyIXSHFCSGRHVTBI-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.84
Rot. Bonds1

About 5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole

5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole (PubChem CID 146239877) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole.

Molecular Properties

Compound Name5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
PubChem CID146239877
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
SMILESCC1CCC(C)C(c2ccccc2)c2c1n(C)c1ccccc21
InChIInChI=1S/C22H25N/c1-15-13-14-16(2)22-21(20(15)17-9-5-4-6-10-17)18-11-7-8-12-19(18)23(22)3/h4-12,15-16,20H,13-14H2,1-3H3
InChIKeyIXSHFCSGRHVTBI-UHFFFAOYSA-N
XLogP5.84
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole?
The IUPAC name of 5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole (CID 146239877) is 5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole.
What is the SMILES notation for 5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole?
The canonical SMILES for 5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole is CC1CCC(C)C(c2ccccc2)c2c1n(C)c1ccccc21.
What is the InChIKey of 5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole?
The InChIKey is IXSHFCSGRHVTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-15-13-14-16(2)22-21(20(15)17-9-5-4-6-10-17)18-11-7-8-12-19(18)23(22)3/h4-12,15-16,20H,13-14H2,1-3H3.
What are the key properties of 5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole?
5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole has a molecular weight of 303.45 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,9-trimethyl-10-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole is sourced from PubChem (CID 146239877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).