1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine

C27H25N — CID 175079054

IUPAC1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
SMILESCc1cc(C)cc(-c2cccc3ccc4c(c23)-c2ccc(N)cc2C4(C)C)c1
InChIInChI=1S/C27H25N/c1-16-12-17(2)14-19(13-16)21-7-5-6-18-8-11-23-26(25(18)21)22-10-9-20(28)15-24(22)27(23,3)4/h5-15H,28H2,1-4H3
InChIKeyOJJAQUKGLUFOLE-UHFFFAOYSA-N
MW363.50 g/mol
LogP7.01
Rot. Bonds1

About 1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine

1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine (PubChem CID 175079054) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
PubChem CID175079054
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC Name1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
SMILESCc1cc(C)cc(-c2cccc3ccc4c(c23)-c2ccc(N)cc2C4(C)C)c1
InChIInChI=1S/C27H25N/c1-16-12-17(2)14-19(13-16)21-7-5-6-18-8-11-23-26(25(18)21)22-10-9-20(28)15-24(22)27(23,3)4/h5-15H,28H2,1-4H3
InChIKeyOJJAQUKGLUFOLE-UHFFFAOYSA-N
XLogP7.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine with MolForge

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

Launch Full Analysis

Related Compounds

7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277897
1-(3,5-dimethylphenyl)perylene
CID 20517158
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735
9,9-dimethylfluorene-2,6-diamine
CID 156512652
9,9,14,14-tetramethyl-6-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140710622
4-(3-fluoro-5-methylphenyl)-9,9-dimethylfluorene
CID 90266614
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
4-(7,7-dimethylbenzo[g]fluoren-9-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412748
5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59181920
7,7-dimethyl-10-(8-pyren-1-ylnaphthalen-1-yl)benzo[a]phenalene
CID 171045236
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290624
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130189280

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine (CID 175079054) is 1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine is Cc1cc(C)cc(-c2cccc3ccc4c(c23)-c2ccc(N)cc2C4(C)C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine?
The InChIKey is OJJAQUKGLUFOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N/c1-16-12-17(2)14-19(13-16)21-7-5-6-18-8-11-23-26(25(18)21)22-10-9-20(28)15-24(22)27(23,3)4/h5-15H,28H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine?
1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine has a molecular weight of 363.50 g/mol, XLogP of 7.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine is sourced from PubChem (CID 175079054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).