11-(2-aminoethynyl)benzo[b]fluoren-11-ol

C19H13NO — CID 167138421

IUPAC11-(2-aminoethynyl)benzo[b]fluoren-11-ol
SMILESNC#CC1(O)c2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C19H13NO/c20-10-9-19(21)17-8-4-3-7-15(17)16-11-13-5-1-2-6-14(13)12-18(16)19/h1-8,11-12,21H,20H2
InChIKeyPCGXXXSGYUHING-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.98
Rot. Bonds

About 11-(2-aminoethynyl)benzo[b]fluoren-11-ol

11-(2-aminoethynyl)benzo[b]fluoren-11-ol (PubChem CID 167138421) has the molecular formula C19H13NO and a molecular weight of 271.32 g/mol. Its IUPAC name is 11-(2-aminoethynyl)benzo[b]fluoren-11-ol.

Molecular Properties

Compound Name11-(2-aminoethynyl)benzo[b]fluoren-11-ol
PubChem CID167138421
Molecular FormulaC19H13NO
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC Name11-(2-aminoethynyl)benzo[b]fluoren-11-ol
SMILESNC#CC1(O)c2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C19H13NO/c20-10-9-19(21)17-8-4-3-7-15(17)16-11-13-5-1-2-6-14(13)12-18(16)19/h1-8,11-12,21H,20H2
InChIKeyPCGXXXSGYUHING-UHFFFAOYSA-N
XLogP2.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-(2-aminoethynyl)benzo[b]fluoren-11-ol 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

benzo[b]fluorene-11,11-diamine
CID 126521944
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
9-(2-bromoethynyl)fluoren-9-ol
CID 10968066
1,5-bis(9-hydroxyfluoren-9-yl)penta-1,4-diyn-3-one
CID 10906271
CID 140845137
CID 140845137
bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene
CID 158732908
9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol
CID 5246971
9-[3-[3-[3-(9-hydroxyfluoren-9-yl)prop-2-ynoxy]phenoxy]prop-1-ynyl]fluoren-9-ol
CID 139556397
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
spiro[benzo[b]fluorene-11,1'-cyclopentane]
CID 59806759
7-prop-1-ynylbenzo[c]fluoren-7-ol
CID 164808851
2-chloro-11-(2-phenylphenyl)benzo[b]fluoren-11-ol
CID 134194053

Frequently Asked Questions

What is the IUPAC name of 11-(2-aminoethynyl)benzo[b]fluoren-11-ol?
The IUPAC name of 11-(2-aminoethynyl)benzo[b]fluoren-11-ol (CID 167138421) is 11-(2-aminoethynyl)benzo[b]fluoren-11-ol.
What is the SMILES notation for 11-(2-aminoethynyl)benzo[b]fluoren-11-ol?
The canonical SMILES for 11-(2-aminoethynyl)benzo[b]fluoren-11-ol is NC#CC1(O)c2ccccc2-c2cc3ccccc3cc21.
What is the InChIKey of 11-(2-aminoethynyl)benzo[b]fluoren-11-ol?
The InChIKey is PCGXXXSGYUHING-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO/c20-10-9-19(21)17-8-4-3-7-15(17)16-11-13-5-1-2-6-14(13)12-18(16)19/h1-8,11-12,21H,20H2.
What are the key properties of 11-(2-aminoethynyl)benzo[b]fluoren-11-ol?
11-(2-aminoethynyl)benzo[b]fluoren-11-ol has a molecular weight of 271.32 g/mol, XLogP of 2.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-aminoethynyl)benzo[b]fluoren-11-ol is sourced from PubChem (CID 167138421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).