3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene

C250H182F3N5O12P12S6 — CID 162227454

IUPAC3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene
SMILESCc1cc(P(=O)(c2ccccc2)c2ccccc2)ccc1-c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1C(F)(F)F.O=P(C1=CS/C(=C2/SC=C(P(=O)(c3ccccc3)c3ccccc3)S2)S1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(P(=O)(c3ccccc3)c3ccccc3)s2)s1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccnc3c2ccc2c(-c4ccc(P(=O)(c5ccccc5)c5ccccc5)cc4)ccnc23)cc1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(P(=O)(c5ccccc5)c5ccccc5)c4)ccc2n3-c2ccccc2)c1.O=P(c1ccccc1)(c1ccccc1)c1cnc2c(ccc3c(-c4ccccc4)c(P(=O)(c4ccccc4)c4ccccc4)cnc32)c1-c1ccccc1
InChIInChI=1S/C54H39NO2P2.2C48H34N2O2P2.C38H29F3O2P2.C32H24O2P2S2.C30H22O2P2S4/c56-58(45-22-8-2-9-23-45,46-24-10-3-11-25-46)49-30-16-18-40(36-49)42-32-34-53-51(38-42)52-39-43(33-35-54(52)55(53)44-20-6-1-7-21-44)41-19-17-31-50(37-41)59(57,47-26-12-4-13-27-47)48-28-14-5-15-29-48;51-53(37-23-11-3-12-24-37,38-25-13-4-14-26-38)43-33-49-47-41(45(43)35-19-7-1-8-20-35)31-32-42-46(36-21-9-2-10-22-36)44(34-50-48(42)47)54(52,39-27-15-5-16-28-39)40-29-17-6-18-30-40;51-53(37-13-5-1-6-14-37,38-15-7-2-8-16-38)41-25-21-35(22-26-41)43-31-33-49-47-45(43)29-30-46-44(32-34-50-48(46)47)36-23-27-42(28-24-36)54(52,39-17-9-3-10-18-39)40-19-11-4-12-20-40;1-28-26-33(44(42,29-14-6-2-7-15-29)30-16-8-3-9-17-30)22-24-35(28)36-25-23-34(27-37(36)38(39,40)41)45(43,31-18-10-4-11-19-31)32-20-12-5-13-21-32;33-35(25-13-5-1-6-14-25,26-15-7-2-8-16-26)31-23-21-29(37-31)30-22-24-32(38-30)36(34,27-17-9-3-10-18-27)28-19-11-4-12-20-28;31-33(23-13-5-1-6-14-23,24-15-7-2-8-16-24)27-21-35-29(37-27)30-36-22-28(38-30)34(32,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-39H;2*1-34H;2-27H,1H3;1-24H;1-22H/b;;;;;30-29+
InChIKeyZUYJEFXTDFXFHQ-KLBXASDKSA-N
MW4069.31 g/mol
LogP53.60
Rot. Bonds45

About 3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene

3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene (PubChem CID 162227454) has the molecular formula C250H182F3N5O12P12S6 and a molecular weight of 4069.31 g/mol. Its IUPAC name is 3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene.

Molecular Properties

Compound Name3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene
PubChem CID162227454
Molecular FormulaC250H182F3N5O12P12S6
Molecular Weight4069.31 g/mol
Exact Mass4065.89
IUPAC Name3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene
SMILESCc1cc(P(=O)(c2ccccc2)c2ccccc2)ccc1-c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1C(F)(F)F.O=P(C1=CS/C(=C2/SC=C(P(=O)(c3ccccc3)c3ccccc3)S2)S1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(P(=O)(c3ccccc3)c3ccccc3)s2)s1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccnc3c2ccc2c(-c4ccc(P(=O)(c5ccccc5)c5ccccc5)cc4)ccnc23)cc1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(P(=O)(c5ccccc5)c5ccccc5)c4)ccc2n3-c2ccccc2)c1.O=P(c1ccccc1)(c1ccccc1)c1cnc2c(ccc3c(-c4ccccc4)c(P(=O)(c4ccccc4)c4ccccc4)cnc32)c1-c1ccccc1
InChIInChI=1S/C54H39NO2P2.2C48H34N2O2P2.C38H29F3O2P2.C32H24O2P2S2.C30H22O2P2S4/c56-58(45-22-8-2-9-23-45,46-24-10-3-11-25-46)49-30-16-18-40(36-49)42-32-34-53-51(38-42)52-39-43(33-35-54(52)55(53)44-20-6-1-7-21-44)41-19-17-31-50(37-41)59(57,47-26-12-4-13-27-47)48-28-14-5-15-29-48;51-53(37-23-11-3-12-24-37,38-25-13-4-14-26-38)43-33-49-47-41(45(43)35-19-7-1-8-20-35)31-32-42-46(36-21-9-2-10-22-36)44(34-50-48(42)47)54(52,39-27-15-5-16-28-39)40-29-17-6-18-30-40;51-53(37-13-5-1-6-14-37,38-15-7-2-8-16-38)41-25-21-35(22-26-41)43-31-33-49-47-45(43)29-30-46-44(32-34-50-48(46)47)36-23-27-42(28-24-36)54(52,39-17-9-3-10-18-39)40-19-11-4-12-20-40;1-28-26-33(44(42,29-14-6-2-7-15-29)30-16-8-3-9-17-30)22-24-35(28)36-25-23-34(27-37(36)38(39,40)41)45(43,31-18-10-4-11-19-31)32-20-12-5-13-21-32;33-35(25-13-5-1-6-14-25,26-15-7-2-8-16-26)31-23-21-29(37-31)30-22-24-32(38-30)36(34,27-17-9-3-10-18-27)28-19-11-4-12-20-28;31-33(23-13-5-1-6-14-23,24-15-7-2-8-16-24)27-21-35-29(37-27)30-36-22-28(38-30)34(32,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-39H;2*1-34H;2-27H,1H3;1-24H;1-22H/b;;;;;30-29+
InChIKeyZUYJEFXTDFXFHQ-KLBXASDKSA-N
XLogP53.60
TPSA261.33 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds45
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004069.31
LogP ≤ 553.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene with MolForge

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Related Compounds

methylidene-[8-[methylidene(diphenyl)-lambda5-phosphanyl]-4,7-diphenyl-1,10-phenanthrolin-3-yl]-diphenyl-lambda5-phosphane;methylidene-[(2E)-2-[4-[methylidene(diphenyl)-lambda5-phosphanyl]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]-diphenyl-lambda5-phosphane;methylidene-[4-[7-[4-[methylidene(diphenyl)-lambda5-phosphanyl]phenyl]-1,10-phenanthrolin-4-yl]phenyl]-diphenyl-lambda5-phosphane;methylidene-[3-[6-[3-[methylidene(diphenyl)-lambda5-phosphanyl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-diphenyl-lambda5-phosphane;methylidene-[5-[5-[methylidene(diphenyl)-lambda5-phosphanyl]thiophen-2-yl]thiophen-2-yl]-diphenyl-lambda5-phosphane;methylidene-[4-[2-methyl-4-[methylidene(diphenyl)-lambda5-phosphanyl]phenyl]-3-(trifluoromethyl)phenyl]-diphenyl-lambda5-phosphane
CID 159372587
1,10-Dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(3-methyl-1-benzothiophen-2-yl)pyridin-1-ium;1-methyl-2-(3-methyl-1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(3-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(trifluoromethyl)pyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(3-methylthiophen-2-yl)pyridin-1-ium;1-methyl-2-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-1-ium;2-methyl-3-phenylisoquinolin-2-ium
CID 159539756
20-dibenzothiophen-4-yl-15-methyl-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;18-methyl-20-(9-phenylcarbazol-2-yl)-10-thia-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;N-phenyl-N-[4-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)phenyl]naphthalen-2-amine;20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 160216356
20-(1-Benzothiophen-3-yl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;20-dibenzothiophen-4-yl-15-methyl-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;20-(9-phenylcarbazol-4-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-17-carbonitrile;20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161215459
9-[3,5-Dimethyl-4-[8-(5-quinoxalin-5-ylthiophen-2-yl)-6,11-dihydrotetracen-2-yl]phenyl]carbazole
CID 139335311
17-[5-(1,10-Phenanthrolin-2-yl)thiophen-2-yl]-21-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142352538
2-[4-[4-[9-(1-Benzothiophen-2-yl)carbazol-4-yl]carbazol-9-yl]-3-phenylphenyl]-1,10-phenanthroline
CID 144300809
6-[4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-[8-[9-phenyl-2-[(3Z,5E)-5-(4-triphenylen-2-yl-[1]benzothiolo[2,3-c]quinolin-6-yl)hepta-1,3,5-trien-2-yl]-1,10-phenanthrolin-5-yl]naphthalen-2-yl]-[1]benzothiolo[2,3-c]quinoline
CID 146489034
3-[2-(4,6-Dimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(4,6-diphenyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(8-methyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(8-phenyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(4,6,8-trimethyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(4,6,8-triphenyldibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 157057722
6-[4-[4-(4-Dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-(5-dibenzothiophen-4-ylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(6-dibenzothiophen-4-ylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine
CID 157058652
11-(4-Carbazol-9-ylphenyl)-14-(9,9-dimethylfluoren-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(4-diphenylphosphorylphenyl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-(9,9-dimethylfluoren-2-yl)-11-(1,10-phenanthrolin-5-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 157140999
3-[3-[2,8-Bis(3,5-diphenylphenyl)-6-phenyldibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[2-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[2,6,8-tris(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2,6,8-tris(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 157149912

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene?
The IUPAC name of 3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene (CID 162227454) is 3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene.
What is the SMILES notation for 3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene?
The canonical SMILES for 3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene is Cc1cc(P(=O)(c2ccccc2)c2ccccc2)ccc1-c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1C(F)(F)F.O=P(C1=CS/C(=C2/SC=C(P(=O)(c3ccccc3)c3ccccc3)S2)S1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(P(=O)(c3ccccc3)c3ccccc3)s2)s1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccnc3c2ccc2c(-c4ccc(P(=O)(c5ccccc5)c5ccccc5)cc4)ccnc23)cc1.O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(P(=O)(c5ccccc5)c5ccccc5)c4)ccc2n3-c2ccccc2)c1.O=P(c1ccccc1)(c1ccccc1)c1cnc2c(ccc3c(-c4ccccc4)c(P(=O)(c4ccccc4)c4ccccc4)cnc32)c1-c1ccccc1.
What is the InChIKey of 3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene?
The InChIKey is ZUYJEFXTDFXFHQ-KLBXASDKSA-N. The full InChI is InChI=1S/C54H39NO2P2.2C48H34N2O2P2.C38H29F3O2P2.C32H24O2P2S2.C30H22O2P2S4/c56-58(45-22-8-2-9-23-45,46-24-10-3-11-25-46)49-30-16-18-40(36-49)42-32-34-53-51(38-42)52-39-43(33-35-54(52)55(53)44-20-6-1-7-21-44)41-19-17-31-50(37-41)59(57,47-26-12-4-13-27-47)48-28-14-5-15-29-48;51-53(37-23-11-3-12-24-37,38-25-13-4-14-26-38)43-33-49-47-41(45(43)35-19-7-1-8-20-35)31-32-42-46(36-21-9-2-10-22-36)44(34-50-48(42)47)54(52,39-27-15-5-16-28-39)40-29-17-6-18-30-40;51-53(37-13-5-1-6-14-37,38-15-7-2-8-16-38)41-25-21-35(22-26-41)43-31-33-49-47-45(43)29-30-46-44(32-34-50-48(46)47)36-23-27-42(28-24-36)54(52,39-17-9-3-10-18-39)40-19-11-4-12-20-40;1-28-26-33(44(42,29-14-6-2-7-15-29)30-16-8-3-9-17-30)22-24-35(28)36-25-23-34(27-37(36)38(39,40)41)45(43,31-18-10-4-11-19-31)32-20-12-5-13-21-32;33-35(25-13-5-1-6-14-25,26-15-7-2-8-16-26)31-23-21-29(37-31)30-22-24-32(38-30)36(34,27-17-9-3-10-18-27)28-19-11-4-12-20-28;31-33(23-13-5-1-6-14-23,24-15-7-2-8-16-24)27-21-35-29(37-27)30-36-22-28(38-30)34(32,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-39H;2*1-34H;2-27H,1H3;1-24H;1-22H/b;;;;;30-29+.
What are the key properties of 3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene?
3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene has a molecular weight of 4069.31 g/mol, XLogP of 53.60, 45 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(diphenylphosphoryl)-4,7-diphenyl-1,10-phenanthroline;4,7-bis(4-diphenylphosphorylphenyl)-1,10-phenanthroline;3,6-bis(3-diphenylphosphorylphenyl)-9-phenylcarbazole;(2E)-4-diphenylphosphoryl-2-(4-diphenylphosphoryl-1,3-dithiol-2-ylidene)-1,3-dithiole;2-diphenylphosphoryl-5-(5-diphenylphosphorylthiophen-2-yl)thiophene;4-diphenylphosphoryl-1-[4-diphenylphosphoryl-2-(trifluoromethyl)phenyl]-2-methylbenzene is sourced from PubChem (CID 162227454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).