11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene

C22H22 — CID 157467920

IUPAC11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene
SMILESCC(C)c1c2c(cc3ccccc13)-c1ccccc1C2(C)C
InChIInChI=1S/C22H22/c1-14(2)20-16-10-6-5-9-15(16)13-18-17-11-7-8-12-19(17)22(3,4)21(18)20/h5-14H,1-4H3
InChIKeyNRVQHJIHKFLLEU-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.27
Rot. Bonds1

About 11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene

11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene (PubChem CID 157467920) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene.

Molecular Properties

Compound Name11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene
PubChem CID157467920
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene
SMILESCC(C)c1c2c(cc3ccccc13)-c1ccccc1C2(C)C
InChIInChI=1S/C22H22/c1-14(2)20-16-10-6-5-9-15(16)13-18-17-11-7-8-12-19(17)22(3,4)21(18)20/h5-14H,1-4H3
InChIKeyNRVQHJIHKFLLEU-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene 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

9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
10,10,12,12-tetramethyl-11-(10-naphthalen-1-ylanthracen-9-yl)indeno[2,1-b]fluorene
CID 160577000
5-(9,9-dimethylfluoren-1-yl)-8-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282310
5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene
CID 140710620
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;ethane
CID 90782904
8,8-dimethylhexacyclo[15.7.1.02,7.09,25.010,15.019,24]pentacosa-1(25),2,4,6,9,11,13,15,17,19,21,23-dodecaene
CID 123897654
10,10,12,12-tetramethyl-11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[2,1-b]fluorene
CID 161253003
10,18-bis(11,11-dimethylbenzo[b]fluoren-10-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene
CID 146376340
2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine
CID 165151962
9-[7-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]phenanthrene
CID 58569626
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine
CID 165152145

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene?
The IUPAC name of 11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene (CID 157467920) is 11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene.
What is the SMILES notation for 11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene?
The canonical SMILES for 11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene is CC(C)c1c2c(cc3ccccc13)-c1ccccc1C2(C)C.
What is the InChIKey of 11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene?
The InChIKey is NRVQHJIHKFLLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-14(2)20-16-10-6-5-9-15(16)13-18-17-11-7-8-12-19(17)22(3,4)21(18)20/h5-14H,1-4H3.
What are the key properties of 11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene?
11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene has a molecular weight of 286.42 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-10-propan-2-ylbenzo[b]fluorene is sourced from PubChem (CID 157467920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).