6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine

C27H31N — CID 89095763

IUPAC6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine
SMILESCC1(C)C2=CC=C(C3=CC(C4C=CC=CC4N)=CCC3)CC2C2C=CC=CC21
InChIInChI=1S/C27H31N/c1-27(2)24-12-5-3-11-22(24)23-17-19(14-15-25(23)27)18-8-7-9-20(16-18)21-10-4-6-13-26(21)28/h3-6,9-16,21-24,26H,7-8,17,28H2,1-2H3
InChIKeyQQRJRMXLYPDGMB-UHFFFAOYSA-N
MW369.55 g/mol
LogP5.97
Rot. Bonds2

About 6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine

6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine (PubChem CID 89095763) has the molecular formula C27H31N and a molecular weight of 369.55 g/mol. Its IUPAC name is 6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine
PubChem CID89095763
Molecular FormulaC27H31N
Molecular Weight369.55 g/mol
Exact Mass369.25
IUPAC Name6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine
SMILESCC1(C)C2=CC=C(C3=CC(C4C=CC=CC4N)=CCC3)CC2C2C=CC=CC21
InChIInChI=1S/C27H31N/c1-27(2)24-12-5-3-11-22(24)23-17-19(14-15-25(23)27)18-8-7-9-20(16-18)21-10-4-6-13-26(21)28/h3-6,9-16,21-24,26H,7-8,17,28H2,1-2H3
InChIKeyQQRJRMXLYPDGMB-UHFFFAOYSA-N
XLogP5.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine (CID 89095763) is 6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine is CC1(C)C2=CC=C(C3=CC(C4C=CC=CC4N)=CCC3)CC2C2C=CC=CC21.
What is the InChIKey of 6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine?
The InChIKey is QQRJRMXLYPDGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N/c1-27(2)24-12-5-3-11-22(24)23-17-19(14-15-25(23)27)18-8-7-9-20(16-18)21-10-4-6-13-26(21)28/h3-6,9-16,21-24,26H,7-8,17,28H2,1-2H3.
What are the key properties of 6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine?
6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine has a molecular weight of 369.55 g/mol, XLogP of 5.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(9,9-dimethyl-4,4a,4b,8a-tetrahydrofluoren-3-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89095763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).