11H-benzo[a]fluorene;indeno[2,1-a]fluorene

C37H24 — CID 161215965

IUPAC11H-benzo[a]fluorene;indeno[2,1-a]fluorene
SMILESC1=c2c(ccc3c2=Cc2ccccc2-3)-c2ccccc21.c1ccc2c(c1)Cc1c-2ccc2ccccc12
InChIInChI=1S/C20H12.C17H12/c1-3-7-15-13(5-1)11-19-17(15)9-10-18-16-8-4-2-6-14(16)12-20(18)19;1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-12H;1-10H,11H2
InChIKeyUWWFPDZLJWNMJU-UHFFFAOYSA-N
MW468.60 g/mol
LogP7.72
Rot. Bonds

About 11H-benzo[a]fluorene;indeno[2,1-a]fluorene

11H-benzo[a]fluorene;indeno[2,1-a]fluorene (PubChem CID 161215965) has the molecular formula C37H24 and a molecular weight of 468.60 g/mol. Its IUPAC name is 11H-benzo[a]fluorene;indeno[2,1-a]fluorene.

Molecular Properties

Compound Name11H-benzo[a]fluorene;indeno[2,1-a]fluorene
PubChem CID161215965
Molecular FormulaC37H24
Molecular Weight468.60 g/mol
Exact Mass468.19
IUPAC Name11H-benzo[a]fluorene;indeno[2,1-a]fluorene
SMILESC1=c2c(ccc3c2=Cc2ccccc2-3)-c2ccccc21.c1ccc2c(c1)Cc1c-2ccc2ccccc12
InChIInChI=1S/C20H12.C17H12/c1-3-7-15-13(5-1)11-19-17(15)9-10-18-16-8-4-2-6-14(16)12-20(18)19;1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-12H;1-10H,11H2
InChIKeyUWWFPDZLJWNMJU-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
1-naphthalen-1-yl-11H-benzo[a]fluorene
CID 157136460
undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 158563548
13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 154087157
hexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 157080785
5-naphthalen-1-yl-11H-benzo[a]fluorene
CID 161363694
9-methoxy-11H-benzo[a]fluorene
CID 13401823
heptacyclo[14.11.1.02,14.05,13.06,11.017,22.024,28]octacosa-1(27),2(14),3,5(13),6,8,10,16(28),17,19,21,23,25-tridecaene
CID 159466514
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
bis(11H-benzo[a]fluorene);bromoethane;ethane;2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 163915567

Frequently Asked Questions

What is the IUPAC name of 11H-benzo[a]fluorene;indeno[2,1-a]fluorene?
The IUPAC name of 11H-benzo[a]fluorene;indeno[2,1-a]fluorene (CID 161215965) is 11H-benzo[a]fluorene;indeno[2,1-a]fluorene.
What is the SMILES notation for 11H-benzo[a]fluorene;indeno[2,1-a]fluorene?
The canonical SMILES for 11H-benzo[a]fluorene;indeno[2,1-a]fluorene is C1=c2c(ccc3c2=Cc2ccccc2-3)-c2ccccc21.c1ccc2c(c1)Cc1c-2ccc2ccccc12.
What is the InChIKey of 11H-benzo[a]fluorene;indeno[2,1-a]fluorene?
The InChIKey is UWWFPDZLJWNMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C17H12/c1-3-7-15-13(5-1)11-19-17(15)9-10-18-16-8-4-2-6-14(16)12-20(18)19;1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-12H;1-10H,11H2.
What are the key properties of 11H-benzo[a]fluorene;indeno[2,1-a]fluorene?
11H-benzo[a]fluorene;indeno[2,1-a]fluorene has a molecular weight of 468.60 g/mol, XLogP of 7.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[a]fluorene;indeno[2,1-a]fluorene is sourced from PubChem (CID 161215965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).