6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid

C90H61OP — CID 143940944

IUPAC6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid
SMILESC1=Cc2c(c3ccccc3c3cc4cc5c6c(cccc6c4cc23)-c2c-5c(-c3ccccc3)c3ccccc3c2-c2ccccc2)CC1.Cc1cc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2cc1C)-c1cc2ccc4ccccc4c2c2cccc-3c12.OP
InChIInChI=1S/C48H30.C42H28.H3OP/c1-3-14-29(15-4-1)44-36-22-11-12-23-37(36)45(30-16-5-2-6-17-30)48-43-27-31-26-41-34-20-9-7-18-32(34)33-19-8-10-21-35(33)42(41)28-40(31)38-24-13-25-39(46(38)43)47(44)48;1-25-22-34-35(23-26(25)2)39(29-15-7-4-8-16-29)42-36-24-30-21-20-27-12-9-10-17-31(27)37(30)32-18-11-19-33(40(32)36)41(42)38(34)28-13-5-3-6-14-28;1-2/h1-7,9-18,20-28H,8,19H2;3-24H,1-2H3;1H,2H2
InChIKeyPJZMLTZPUANAFG-UHFFFAOYSA-N
MW1189.45 g/mol
LogP25.06
Rot. Bonds4

About 6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid

6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid (PubChem CID 143940944) has the molecular formula C90H61OP and a molecular weight of 1189.45 g/mol. Its IUPAC name is 6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid.

Molecular Properties

Compound Name6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid
PubChem CID143940944
Molecular FormulaC90H61OP
Molecular Weight1189.45 g/mol
Exact Mass1188.45
IUPAC Name6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid
SMILESC1=Cc2c(c3ccccc3c3cc4cc5c6c(cccc6c4cc23)-c2c-5c(-c3ccccc3)c3ccccc3c2-c2ccccc2)CC1.Cc1cc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2cc1C)-c1cc2ccc4ccccc4c2c2cccc-3c12.OP
InChIInChI=1S/C48H30.C42H28.H3OP/c1-3-14-29(15-4-1)44-36-22-11-12-23-37(36)45(30-16-5-2-6-17-30)48-43-27-31-26-41-34-20-9-7-18-32(34)33-19-8-10-21-35(33)42(41)28-40(31)38-24-13-25-39(46(38)43)47(44)48;1-25-22-34-35(23-26(25)2)39(29-15-7-4-8-16-29)42-36-24-30-21-20-27-12-9-10-17-31(27)37(30)32-18-11-19-33(40(32)36)41(42)38(34)28-13-5-3-6-14-28;1-2/h1-7,9-18,20-28H,8,19H2;3-24H,1-2H3;1H,2H2
InChIKeyPJZMLTZPUANAFG-UHFFFAOYSA-N
XLogP25.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001189.45
LogP ≤ 525.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid with MolForge

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Related Compounds

21-[10-(2-phenylphenyl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),11,15,17,19,21-decaene
CID 167515742
5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene
CID 143811534
7-(2,6-dimethylphenyl)-19-fluoranthen-3-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene
CID 58454174
19-naphthalen-1-yl-15,22-diphenylhexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 58309805
3,26-bis(4-phenylphenyl)undecacyclo[36.3.1.02,27.04,25.06,23.07,16.09,14.017,22.028,41.031,40.034,39]dotetraconta-1(42),2,4(25),5,7,9,11,13,15,17,19,21,23,26,28(41),29,31(40),32,34(39),35,37-henicosaene
CID 123212258
3,26-bis(4-methylphenyl)-10-phenylundecacyclo[36.3.1.02,27.04,25.06,23.07,12.013,22.015,20.028,41.031,40.034,39]dotetraconta-1(42),2,4(25),5,7(12),8,10,13,15,17,19,21,23,26,28(41),29,31(40),32,34(39),35,37-henicosaene
CID 123786724
18-phenylhexacyclo[11.10.1.02,11.03,8.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaene
CID 159461804
2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol
CID 88558283
2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene
CID 59766384
9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160608667
19-phenanthren-9-yl-15,22-bis(3-phenylphenyl)hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaene
CID 58309751
6-methyl-1,2-dihydrotriphenylene
CID 123255484

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid?
The IUPAC name of 6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid (CID 143940944) is 6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid.
What is the SMILES notation for 6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid?
The canonical SMILES for 6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid is C1=Cc2c(c3ccccc3c3cc4cc5c6c(cccc6c4cc23)-c2c-5c(-c3ccccc3)c3ccccc3c2-c2ccccc2)CC1.Cc1cc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2cc1C)-c1cc2ccc4ccccc4c2c2cccc-3c12.OP.
What is the InChIKey of 6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid?
The InChIKey is PJZMLTZPUANAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30.C42H28.H3OP/c1-3-14-29(15-4-1)44-36-22-11-12-23-37(36)45(30-16-5-2-6-17-30)48-43-27-31-26-41-34-20-9-7-18-32(34)33-19-8-10-21-35(33)42(41)28-40(31)38-24-13-25-39(46(38)43)47(44)48;1-25-22-34-35(23-26(25)2)39(29-15-7-4-8-16-29)42-36-24-30-21-20-27-12-9-10-17-31(27)37(30)32-18-11-19-33(40(32)36)41(42)38(34)28-13-5-3-6-14-28;1-2/h1-7,9-18,20-28H,8,19H2;3-24H,1-2H3;1H,2H2.
What are the key properties of 6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid?
6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid has a molecular weight of 1189.45 g/mol, XLogP of 25.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.018,23]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene;23,30-diphenylnonacyclo[19.14.1.02,19.04,17.05,10.011,16.022,31.024,29.032,36]hexatriaconta-1(36),2,4(17),5(10),6,11,13,15,18,20,22,24,26,28,30,32,34-heptadecaene;phosphinous acid is sourced from PubChem (CID 143940944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).