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]

C54H37OP — CID 130265459

IUPAC8'-[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]
SMILESCC1=CC2(c3ccccc31)c1ccccc1-c1c3ccccc3c(-c3ccc(-c4ccc(P(=O)(c5ccccc5)c5ccccc5)cc4)cc3)c3cccc2c13
InChIInChI=1S/C54H37OP/c1-36-35-54(48-24-12-10-19-43(36)48)49-25-13-11-22-46(49)52-45-21-9-8-20-44(45)51(47-23-14-26-50(54)53(47)52)39-29-27-37(28-30-39)38-31-33-42(34-32-38)56(55,40-15-4-2-5-16-40)41-17-6-3-7-18-41/h2-35H,1H3
InChIKeyZQQZNUDEODLWRD-UHFFFAOYSA-N
MW732.86 g/mol
LogP12.70
Rot. Bonds5

About 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]

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] (PubChem CID 130265459) has the molecular formula C54H37OP and a molecular weight of 732.86 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name8'-[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]
PubChem CID130265459
Molecular FormulaC54H37OP
Molecular Weight732.86 g/mol
Exact Mass732.26
IUPAC Name8'-[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]
SMILESCC1=CC2(c3ccccc31)c1ccccc1-c1c3ccccc3c(-c3ccc(-c4ccc(P(=O)(c5ccccc5)c5ccccc5)cc4)cc3)c3cccc2c13
InChIInChI=1S/C54H37OP/c1-36-35-54(48-24-12-10-19-43(36)48)49-25-13-11-22-46(49)52-45-21-9-8-20-44(45)51(47-23-14-26-50(54)53(47)52)39-29-27-37(28-30-39)38-31-33-42(34-32-38)56(55,40-15-4-2-5-16-40)41-17-6-3-7-18-41/h2-35H,1H3
InChIKeyZQQZNUDEODLWRD-UHFFFAOYSA-N
XLogP12.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.86
LogP ≤ 512.70
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'-[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] with MolForge

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Related Compounds

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
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
7-(4-diphenylphosphorylphenyl)-1-methyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]benzo[a]phenalene
CID 130264639
3-(4-diphenylphosphorylphenyl)-1,7-dimethyl-7-(trideuteriomethyl)benzo[a]phenalene
CID 130263902
9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
CID 122597792
9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene
CID 146539115
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
8-[4-(benzenesulfonyl)phenyl]-14,14-diethylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 130265476
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
2-diphenylphosphoryl-8-(12-phenylbenzo[k]fluoranthen-7-yl)dibenzothiophene
CID 148794729
9-(2-phenylphenyl)-20-(4-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 59642746
2',7'-bis(4-diphenylphosphorylphenyl)-9,9'-spirobi[fluorene]
CID 176589935

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is CC1=CC2(c3ccccc31)c1ccccc1-c1c3ccccc3c(-c3ccc(-c4ccc(P(=O)(c5ccccc5)c5ccccc5)cc4)cc3)c3cccc2c13.
What is the InChIKey of 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]?
The InChIKey is ZQQZNUDEODLWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37OP/c1-36-35-54(48-24-12-10-19-43(36)48)49-25-13-11-22-46(49)52-45-21-9-8-20-44(45)51(47-23-14-26-50(54)53(47)52)39-29-27-37(28-30-39)38-31-33-42(34-32-38)56(55,40-15-4-2-5-16-40)41-17-6-3-7-18-41/h2-35H,1H3.
What are the key properties of 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]?
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] has a molecular weight of 732.86 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 130265459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).