1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene

C135H108N2O8P8 — CID 162018059

IUPAC1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene
SMILESO=P(c1ccc(P(=O)(c2cccc3ccccc23)c2cccc3ccccc23)cc1)(c1ccc2ccccc2c1)c1cccc2ccccc12.O=P(c1ccccc1)(c1ccccc1)C1C2CCC(C2)C1P(=O)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1cnc(P(=O)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C46H32O2P2.C31H30O2P2.C30H24O2P2.C28H22N2O2P2/c47-49(40-27-26-33-12-1-2-16-37(33)32-40,44-23-9-17-34-13-3-6-20-41(34)44)38-28-30-39(31-29-38)50(48,45-24-10-18-35-14-4-7-21-42(35)45)46-25-11-19-36-15-5-8-22-43(36)46;32-34(26-13-5-1-6-14-26,27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)35(33,28-17-9-3-10-18-28)29-19-11-4-12-20-29;31-33(25-13-5-1-6-14-25,26-15-7-2-8-16-26)29-21-23-30(24-22-29)34(32,27-17-9-3-10-18-27)28-19-11-4-12-20-28;31-33(23-13-5-1-6-14-23,24-15-7-2-8-16-24)27-21-30-28(22-29-27)34(32,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-32H;1-20,24-25,30-31H,21-23H2;1-24H;1-22H
InChIKeyYUJNSOBKWIQPMU-UHFFFAOYSA-N
MW2134.15 g/mol
LogP24.48
Rot. Bonds24

About 1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene

1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene (PubChem CID 162018059) has the molecular formula C135H108N2O8P8 and a molecular weight of 2134.15 g/mol. Its IUPAC name is 1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene.

Molecular Properties

Compound Name1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene
PubChem CID162018059
Molecular FormulaC135H108N2O8P8
Molecular Weight2134.15 g/mol
Exact Mass2132.60
IUPAC Name1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene
SMILESO=P(c1ccc(P(=O)(c2cccc3ccccc23)c2cccc3ccccc23)cc1)(c1ccc2ccccc2c1)c1cccc2ccccc12.O=P(c1ccccc1)(c1ccccc1)C1C2CCC(C2)C1P(=O)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1cnc(P(=O)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C46H32O2P2.C31H30O2P2.C30H24O2P2.C28H22N2O2P2/c47-49(40-27-26-33-12-1-2-16-37(33)32-40,44-23-9-17-34-13-3-6-20-41(34)44)38-28-30-39(31-29-38)50(48,45-24-10-18-35-14-4-7-21-42(35)45)46-25-11-19-36-15-5-8-22-43(36)46;32-34(26-13-5-1-6-14-26,27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)35(33,28-17-9-3-10-18-28)29-19-11-4-12-20-29;31-33(25-13-5-1-6-14-25,26-15-7-2-8-16-26)29-21-23-30(24-22-29)34(32,27-17-9-3-10-18-27)28-19-11-4-12-20-28;31-33(23-13-5-1-6-14-23,24-15-7-2-8-16-24)27-21-30-28(22-29-27)34(32,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-32H;1-20,24-25,30-31H,21-23H2;1-24H;1-22H
InChIKeyYUJNSOBKWIQPMU-UHFFFAOYSA-N
XLogP24.48
TPSA162.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002134.15
LogP ≤ 524.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
1-diphenylphosphorylnaphthalene
CID 11023927
(1S,2S,3S,4S)-2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane
CID 6595843
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline
CID 118672844
2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982890
1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 88865123
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901903
3-diphenylphosphorylphenanthrene
CID 170944174
2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene
CID 158365460
1,5-bis(diphenylphosphoryl)anthracene
CID 88535905
1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 153323496

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene?
The IUPAC name of 1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene (CID 162018059) is 1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene.
What is the SMILES notation for 1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene?
The canonical SMILES for 1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene is O=P(c1ccc(P(=O)(c2cccc3ccccc23)c2cccc3ccccc23)cc1)(c1ccc2ccccc2c1)c1cccc2ccccc12.O=P(c1ccccc1)(c1ccccc1)C1C2CCC(C2)C1P(=O)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1.O=P(c1ccccc1)(c1ccccc1)c1cnc(P(=O)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene?
The InChIKey is YUJNSOBKWIQPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32O2P2.C31H30O2P2.C30H24O2P2.C28H22N2O2P2/c47-49(40-27-26-33-12-1-2-16-37(33)32-40,44-23-9-17-34-13-3-6-20-41(34)44)38-28-30-39(31-29-38)50(48,45-24-10-18-35-14-4-7-21-42(35)45)46-25-11-19-36-15-5-8-22-43(36)46;32-34(26-13-5-1-6-14-26,27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)35(33,28-17-9-3-10-18-28)29-19-11-4-12-20-29;31-33(25-13-5-1-6-14-25,26-15-7-2-8-16-26)29-21-23-30(24-22-29)34(32,27-17-9-3-10-18-27)28-19-11-4-12-20-28;31-33(23-13-5-1-6-14-23,24-15-7-2-8-16-24)27-21-30-28(22-29-27)34(32,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-32H;1-20,24-25,30-31H,21-23H2;1-24H;1-22H.
What are the key properties of 1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene?
1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene has a molecular weight of 2134.15 g/mol, XLogP of 24.48, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(diphenylphosphoryl)benzene;2,3-bis(diphenylphosphoryl)bicyclo[2.2.1]heptane;2,5-bis(diphenylphosphoryl)pyrazine;2-[(4-dinaphthalen-1-ylphosphorylphenyl)-naphthalen-1-ylphosphoryl]naphthalene is sourced from PubChem (CID 162018059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).