5-naphthalen-1-yl-11H-benzo[a]fluorene

C27H18 — CID 161363694

IUPAC5-naphthalen-1-yl-11H-benzo[a]fluorene
SMILESc1ccc2c(c1)Cc1c-2cc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C27H18/c1-3-11-20-18(8-1)10-7-15-22(20)27-17-26-21-12-4-2-9-19(21)16-25(26)23-13-5-6-14-24(23)27/h1-15,17H,16H2
InChIKeyKBUFXWTYXKPZDT-UHFFFAOYSA-N
MW342.44 g/mol
LogP7.23
Rot. Bonds1

About 5-naphthalen-1-yl-11H-benzo[a]fluorene

5-naphthalen-1-yl-11H-benzo[a]fluorene (PubChem CID 161363694) has the molecular formula C27H18 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-naphthalen-1-yl-11H-benzo[a]fluorene.

Molecular Properties

Compound Name5-naphthalen-1-yl-11H-benzo[a]fluorene
PubChem CID161363694
Molecular FormulaC27H18
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name5-naphthalen-1-yl-11H-benzo[a]fluorene
SMILESc1ccc2c(c1)Cc1c-2cc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C27H18/c1-3-11-20-18(8-1)10-7-15-22(20)27-17-26-21-12-4-2-9-19(21)16-25(26)23-13-5-6-14-24(23)27/h1-15,17H,16H2
InChIKeyKBUFXWTYXKPZDT-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-naphthalen-1-yl-11H-benzo[a]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

3-naphthalen-1-yl-2-phenyl-9H-fluoren-1-amine
CID 175536333
1-naphthalen-1-yl-11H-benzo[a]fluorene
CID 157136460
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
decacyclo[18.18.0.02,18.05,17.06,15.09,14.022,37.023,35.025,33.027,32]octatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23(35),24,27,29,31,33,37-heptadecaene
CID 160943203
9-[3-(9H-fluoren-1-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848200
1-naphthalen-1-yl-9H-xanthene
CID 90993396
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(2,3-dimethyl-9H-fluoren-1-yl)-2-(2-naphthalen-1-ylphenyl)anthracene
CID 166545030
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-11H-benzo[a]fluorene?
The IUPAC name of 5-naphthalen-1-yl-11H-benzo[a]fluorene (CID 161363694) is 5-naphthalen-1-yl-11H-benzo[a]fluorene.
What is the SMILES notation for 5-naphthalen-1-yl-11H-benzo[a]fluorene?
The canonical SMILES for 5-naphthalen-1-yl-11H-benzo[a]fluorene is c1ccc2c(c1)Cc1c-2cc(-c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 5-naphthalen-1-yl-11H-benzo[a]fluorene?
The InChIKey is KBUFXWTYXKPZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18/c1-3-11-20-18(8-1)10-7-15-22(20)27-17-26-21-12-4-2-9-19(21)16-25(26)23-13-5-6-14-24(23)27/h1-15,17H,16H2.
What are the key properties of 5-naphthalen-1-yl-11H-benzo[a]fluorene?
5-naphthalen-1-yl-11H-benzo[a]fluorene has a molecular weight of 342.44 g/mol, XLogP of 7.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-11H-benzo[a]fluorene is sourced from PubChem (CID 161363694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).