5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene

C48H36O2 — CID 67953566

IUPAC5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene
SMILESCC1(C)c2ccccc2-c2ccc(C3=CC=CC4c5ccc6c(oc7c(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cccc76)c5OC34)cc21
InChIInChI=1S/C48H36O2/c1-47(2)39-17-7-5-11-31(39)33-21-19-27(25-41(33)47)29-13-9-15-35-37-23-24-38-36-16-10-14-30(44(36)50-46(38)45(37)49-43(29)35)28-20-22-34-32-12-6-8-18-40(32)48(3,4)42(34)26-28/h5-26,35,43H,1-4H3
InChIKeyWBZRSAPDLUQQAY-UHFFFAOYSA-N
MW644.81 g/mol
LogP12.36
Rot. Bonds2

About 5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene

5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene (PubChem CID 67953566) has the molecular formula C48H36O2 and a molecular weight of 644.81 g/mol. Its IUPAC name is 5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene.

Molecular Properties

Compound Name5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene
PubChem CID67953566
Molecular FormulaC48H36O2
Molecular Weight644.81 g/mol
Exact Mass644.27
IUPAC Name5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene
SMILESCC1(C)c2ccccc2-c2ccc(C3=CC=CC4c5ccc6c(oc7c(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cccc76)c5OC34)cc21
InChIInChI=1S/C48H36O2/c1-47(2)39-17-7-5-11-31(39)33-21-19-27(25-41(33)47)29-13-9-15-35-37-23-24-38-36-16-10-14-30(44(36)50-46(38)45(37)49-43(29)35)28-20-22-34-32-12-6-8-18-40(32)48(3,4)42(34)26-28/h5-26,35,43H,1-4H3
InChIKeyWBZRSAPDLUQQAY-UHFFFAOYSA-N
XLogP12.36
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.81
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene 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-N-[4-(5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145021118
8,16-di(triphenylen-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,16,18-octaene
CID 88882610
3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine
CID 171760889
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651128
5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 163474399
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4b,8a-dihydrophenanthren-9-amine
CID 118486996
1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole
CID 145340801
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-methyldibenzofuran
CID 157203018
4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)dibenzofuran
CID 118472826
10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran
CID 122426066
10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline
CID 146301055

Frequently Asked Questions

What is the IUPAC name of 5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene?
The IUPAC name of 5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene (CID 67953566) is 5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene.
What is the SMILES notation for 5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene?
The canonical SMILES for 5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene is CC1(C)c2ccccc2-c2ccc(C3=CC=CC4c5ccc6c(oc7c(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cccc76)c5OC34)cc21.
What is the InChIKey of 5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene?
The InChIKey is WBZRSAPDLUQQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36O2/c1-47(2)39-17-7-5-11-31(39)33-21-19-27(25-41(33)47)29-13-9-15-35-37-23-24-38-36-16-10-14-30(44(36)50-46(38)45(37)49-43(29)35)28-20-22-34-32-12-6-8-18-40(32)48(3,4)42(34)26-28/h5-26,35,43H,1-4H3.
What are the key properties of 5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene?
5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene has a molecular weight of 644.81 g/mol, XLogP of 12.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene is sourced from PubChem (CID 67953566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).