4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene

C52H33OP — CID 167411227

IUPAC4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc(-c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)cc2)c1
InChIInChI=1S/C52H33OP/c53-54(42-15-3-1-4-16-42,43-17-5-2-6-18-43)44-19-7-14-39(32-44)34-23-25-35(26-24-34)41-31-40-30-29-38-12-9-21-46-45-20-8-11-36-27-28-37-13-10-22-47(51(37)49(36)45)48(33-41)52(40)50(38)46/h1-33H/b46-45-,48-47-
InChIKeyDPZVRBRPPZOWSP-ZETBOMJFSA-N
MW704.81 g/mol
LogP13.02
Rot. Bonds5

About 4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene

4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene (PubChem CID 167411227) has the molecular formula C52H33OP and a molecular weight of 704.81 g/mol. Its IUPAC name is 4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene.

Molecular Properties

Compound Name4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
PubChem CID167411227
Molecular FormulaC52H33OP
Molecular Weight704.81 g/mol
Exact Mass704.23
IUPAC Name4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc(-c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)cc2)c1
InChIInChI=1S/C52H33OP/c53-54(42-15-3-1-4-16-42,43-17-5-2-6-18-43)44-19-7-14-39(32-44)34-23-25-35(26-24-34)41-31-40-30-29-38-12-9-21-46-45-20-8-11-36-27-28-37-13-10-22-47(51(37)49(36)45)48(33-41)52(40)50(38)46/h1-33H/b46-45-,48-47-
InChIKeyDPZVRBRPPZOWSP-ZETBOMJFSA-N
XLogP13.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.81
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene with MolForge

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Related Compounds

4-[4-(10-phenylanthracen-9-yl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412773
2-[4-[3-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167410521
2,8-diphenylperylene
CID 59642615
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine
CID 155249235
3-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 167410735
9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene
CID 164967366
4-(10-phenylanthracen-9-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412900
9-(3-anthracen-9-yl-5-diphenylphosphorylphenyl)anthracene;9-[3-[(3-anthracen-9-ylphenyl)-phenylphosphoryl]phenyl]anthracene;9-(3-diphenylphosphorylphenyl)anthracene;2-(3-diphenylphosphorylphenyl)-9,10-dinaphthalen-2-ylanthracene;9-(3-diphenylphosphorylphenyl)-10-(4-phenylphenyl)anthracene;1-[3-(3-diphenylphosphorylphenyl)-5-pyren-1-ylphenyl]pyrene
CID 157310352
4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]-2,6-diphenylpyrimidine
CID 167412739
1-[3-bromo-5-(4-phenylphenyl)phenyl]pyrene;1-[3-diphenylphosphoryl-5-(4-phenylphenyl)phenyl]pyrene
CID 164989604
3-diphenylphosphorylphenanthrene
CID 170944174

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene?
The IUPAC name of 4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene (CID 167411227) is 4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene.
What is the SMILES notation for 4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene?
The canonical SMILES for 4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc(-c3cc4ccc5cccc6c7cccc8ccc9cccc(c(c3)c4c56)c9c87)cc2)c1.
What is the InChIKey of 4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene?
The InChIKey is DPZVRBRPPZOWSP-ZETBOMJFSA-N. The full InChI is InChI=1S/C52H33OP/c53-54(42-15-3-1-4-16-42,43-17-5-2-6-18-43)44-19-7-14-39(32-44)34-23-25-35(26-24-34)41-31-40-30-29-38-12-9-21-46-45-20-8-11-36-27-28-37-13-10-22-47(51(37)49(36)45)48(33-41)52(40)50(38)46/h1-33H/b46-45-,48-47-.
What are the key properties of 4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene?
4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene has a molecular weight of 704.81 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene is sourced from PubChem (CID 167411227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).