6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene

C32H20O — CID 102362989

IUPAC6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene
SMILESc1ccc(-c2ccc3c(ccc4oc5ccc6cc(-c7ccccc7)ccc6c5c43)c2)cc1
InChIInChI=1S/C32H20O/c1-3-7-21(8-4-1)23-11-15-27-25(19-23)13-17-29-31(27)32-28-16-12-24(22-9-5-2-6-10-22)20-26(28)14-18-30(32)33-29/h1-20H
InChIKeyHFJBMXHNUWMLJQ-UHFFFAOYSA-N
MW420.51 g/mol
LogP9.23
Rot. Bonds2

About 6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene

6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene (PubChem CID 102362989) has the molecular formula C32H20O and a molecular weight of 420.51 g/mol. Its IUPAC name is 6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene.

Molecular Properties

Compound Name6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene
PubChem CID102362989
Molecular FormulaC32H20O
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC Name6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene
SMILESc1ccc(-c2ccc3c(ccc4oc5ccc6cc(-c7ccccc7)ccc6c5c43)c2)cc1
InChIInChI=1S/C32H20O/c1-3-7-21(8-4-1)23-11-15-27-25(19-23)13-17-29-31(27)32-28-16-12-24(22-9-5-2-6-10-22)20-26(28)14-18-30(32)33-29/h1-20H
InChIKeyHFJBMXHNUWMLJQ-UHFFFAOYSA-N
XLogP9.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene 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

6-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 139469551
3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 177130844
N-[4-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
2-phenyl-8-(7-triphenylen-2-ylnaphthalen-2-yl)dibenzofuran
CID 58569708
2,4-dinaphthalen-2-yl-6-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-18-yl)-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159361487
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 167183317
21-(6-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene
CID 149209334
8-chloro-3-phenylnaphtho[2,1-b][1]benzofuran
CID 155335388
2,8-bis(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran;2,8-bis(6-phenylnaphthalen-2-yl)dibenzofuran;2,8-bis(7-phenylnaphthalen-2-yl)dibenzofuran;2-[7-(cyclodecapentaenyl)naphthalen-2-yl]-8-(7-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran
CID 158865776
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 177130873
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194

Frequently Asked Questions

What is the IUPAC name of 6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene?
The IUPAC name of 6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene (CID 102362989) is 6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene.
What is the SMILES notation for 6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene?
The canonical SMILES for 6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene is c1ccc(-c2ccc3c(ccc4oc5ccc6cc(-c7ccccc7)ccc6c5c43)c2)cc1.
What is the InChIKey of 6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene?
The InChIKey is HFJBMXHNUWMLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20O/c1-3-7-21(8-4-1)23-11-15-27-25(19-23)13-17-29-31(27)32-28-16-12-24(22-9-5-2-6-10-22)20-26(28)14-18-30(32)33-29/h1-20H.
What are the key properties of 6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene?
6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene has a molecular weight of 420.51 g/mol, XLogP of 9.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene is sourced from PubChem (CID 102362989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).