8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene

C41H31OP — CID 130264661

IUPAC8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
SMILESCC1(C)c2ccccc2-c2c3ccccc3c(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)c3cccc1c23
InChIInChI=1S/C41H31OP/c1-41(2)36-25-12-11-23-34(36)39-33-22-10-9-21-32(33)38(35-24-14-26-37(41)40(35)39)28-15-13-20-31(27-28)43(42,29-16-5-3-6-17-29)30-18-7-4-8-19-30/h3-27H,1-2H3
InChIKeyGAAALKFUOXNEFM-UHFFFAOYSA-N
MW570.67 g/mol
LogP9.61
Rot. Bonds4

About 8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene

8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene (PubChem CID 130264661) has the molecular formula C41H31OP and a molecular weight of 570.67 g/mol. Its IUPAC name is 8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
PubChem CID130264661
Molecular FormulaC41H31OP
Molecular Weight570.67 g/mol
Exact Mass570.21
IUPAC Name8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
SMILESCC1(C)c2ccccc2-c2c3ccccc3c(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)c3cccc1c23
InChIInChI=1S/C41H31OP/c1-41(2)36-25-12-11-23-34(36)39-33-22-10-9-21-32(33)38(35-24-14-26-37(41)40(35)39)28-15-13-20-31(27-28)43(42,29-16-5-3-6-17-29)30-18-7-4-8-19-30/h3-27H,1-2H3
InChIKeyGAAALKFUOXNEFM-UHFFFAOYSA-N
XLogP9.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.67
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene with MolForge

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Related Compounds

3-(4-diphenylphosphorylphenyl)-1,7-dimethyl-7-(trideuteriomethyl)benzo[a]phenalene
CID 130263902
14,14-dimethyl-8-naphthalen-2-ylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 140800333
8'-[4-(4-diphenylphosphorylphenyl)phenyl]-3-methylspiro[indene-1,14'-pentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene]
CID 130265459
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene
CID 58758028
2-[3-(14,14-dimethyl-8-pentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]-9-phenylcarbazole
CID 130265499
13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 58160934
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
8,8-dimethyl-5-phenyl-7,13-bis(3-phenylphenyl)indeno[1,2-a]anthracene
CID 140792291

Frequently Asked Questions

What is the IUPAC name of 8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The IUPAC name of 8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene (CID 130264661) is 8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene.
What is the SMILES notation for 8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The canonical SMILES for 8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene is CC1(C)c2ccccc2-c2c3ccccc3c(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)c3cccc1c23.
What is the InChIKey of 8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The InChIKey is GAAALKFUOXNEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31OP/c1-41(2)36-25-12-11-23-34(36)39-33-22-10-9-21-32(33)38(35-24-14-26-37(41)40(35)39)28-15-13-20-31(27-28)43(42,29-16-5-3-6-17-29)30-18-7-4-8-19-30/h3-27H,1-2H3.
What are the key properties of 8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene has a molecular weight of 570.67 g/mol, XLogP of 9.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-diphenylphosphorylphenyl)-14,14-dimethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene is sourced from PubChem (CID 130264661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).