11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene

C36H28O — CID 142812206

IUPAC11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene
SMILESC1=CC(c2ccccc2)(c2ccccc2)Oc2c3c(c4ccccc4c21)-c1ccccc1C1CCCC31
InChIInChI=1S/C36H28O/c1-3-12-24(13-4-1)36(25-14-5-2-6-15-25)23-22-32-28-17-8-10-19-30(28)33-29-18-9-7-16-26(29)27-20-11-21-31(27)34(33)35(32)37-36/h1-10,12-19,22-23,27,31H,11,20-21H2
InChIKeyMWLZDSLLWCDXSM-UHFFFAOYSA-N
MW476.62 g/mol
LogP9.22
Rot. Bonds2

About 11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene

11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene (PubChem CID 142812206) has the molecular formula C36H28O and a molecular weight of 476.62 g/mol. Its IUPAC name is 11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene.

Molecular Properties

Compound Name11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene
PubChem CID142812206
Molecular FormulaC36H28O
Molecular Weight476.62 g/mol
Exact Mass476.21
IUPAC Name11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene
SMILESC1=CC(c2ccccc2)(c2ccccc2)Oc2c3c(c4ccccc4c21)-c1ccccc1C1CCCC31
InChIInChI=1S/C36H28O/c1-3-12-24(13-4-1)36(25-14-5-2-6-15-25)23-22-32-28-17-8-10-19-30(28)33-29-18-9-7-16-26(29)27-20-11-21-31(27)34(33)35(32)37-36/h1-10,12-19,22-23,27,31H,11,20-21H2
InChIKeyMWLZDSLLWCDXSM-UHFFFAOYSA-N
XLogP9.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene with MolForge

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Related Compounds

4-(10-methoxy-25,25-dimethyl-5-phenyl-6-oxahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaen-5-yl)-N,N-dimethylaniline
CID 23573971
21,21,22,22-tetramethyl-4,4-diphenyl-3-oxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),5,8,10,12,15,17,19-nonaene
CID 59480312
5-phenyl-5-(4-phenylphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,1'-cycloheptane]
CID 177083169
1',1',5',5'-tetramethyl-5,5-diphenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,3'-cyclohexane]
CID 177083226
10,11-dimethoxy-5,5-bis(4-methoxyphenyl)-21-methyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene
CID 168851540
N,N-dimethyl-4-(5-phenyl-6-oxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-5-yl)aniline
CID 23550855
pentacyclo[14.8.0.02,7.08,15.019,24]tetracosa-1(16),2,4,6,17,19,21,23-octaen-18-ol
CID 142184197
2,2,5-triphenylbenzo[h]chromene
CID 13007765
5,5-bis(4-methylphenyl)-1',1'-diphenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,4'-cyclohexane]
CID 122674494
1-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,1'-cyclooctane]-5-yl)phenyl]piperidine
CID 58184620
5-methyl-2,2-diphenylbenzo[h]chromene
CID 23371123
4,6-diphenyl-2-[4-(5-phenylspiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-21,1'-cyclohexane]-5-yl)phenyl]pyrimidine
CID 169291025

Frequently Asked Questions

What is the IUPAC name of 11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene?
The IUPAC name of 11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene (CID 142812206) is 11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene.
What is the SMILES notation for 11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene?
The canonical SMILES for 11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene is C1=CC(c2ccccc2)(c2ccccc2)Oc2c3c(c4ccccc4c21)-c1ccccc1C1CCCC31.
What is the InChIKey of 11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene?
The InChIKey is MWLZDSLLWCDXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28O/c1-3-12-24(13-4-1)36(25-14-5-2-6-15-25)23-22-32-28-17-8-10-19-30(28)33-29-18-9-7-16-26(29)27-20-11-21-31(27)34(33)35(32)37-36/h1-10,12-19,22-23,27,31H,11,20-21H2.
What are the key properties of 11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene?
11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene has a molecular weight of 476.62 g/mol, XLogP of 9.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-diphenyl-12-oxahexacyclo[12.11.0.02,7.08,13.015,19.020,25]pentacosa-1(14),2,4,6,8(13),9,20,22,24-nonaene is sourced from PubChem (CID 142812206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).