9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane

C254H182B2F6N6O4P4 — CID 158421534

IUPAC9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cccc3c2ccc2c(-c4ccc(F)cc4)nc4ccccc4c23)c(C)c1.Cc1cc(C)c(B(c2ccc(-c3cccc4c3ccc3c(-c5ccc(F)cc5)nc5ccccc5c34)cc2)c2c(C)cc(C)cc2C)c(C)c1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2ccc2c(-c4ccc(F)cc4)nc4ccccc4c23)c2ccccc12.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2ccc2c(-c4ccc(F)cc4)nc4ccccc4c23)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3cccc4c3ccc3c(-c5ccc(F)cc5)nc5ccccc5c34)ccc2c1.O=P(c1ccccc1)(c1ccccc1)c1cccc2c1ccc1c(-c3ccc(F)cc3)nc3ccccc3c12
InChIInChI=1S/C47H39BFN.2C45H29FNOP.C41H35BFN.C41H27FNOP.C35H23FNOP/c1-28-24-30(3)45(31(4)25-28)48(46-32(5)26-29(2)27-33(46)6)36-18-14-34(15-19-36)38-11-9-12-40-39(38)22-23-42-44(40)41-10-7-8-13-43(41)50-47(42)35-16-20-37(49)21-17-35;46-31-24-22-30(23-25-31)45-41-27-26-37-34(19-11-20-39(37)44(41)40-18-9-10-21-42(40)47-45)36-28-29-43(38-17-8-7-16-35(36)38)49(48,32-12-3-1-4-13-32)33-14-5-2-6-15-33;46-34-23-20-30(21-24-34)45-42-27-26-39-38(15-9-16-40(39)44(42)41-14-7-8-17-43(41)47-45)33-19-18-32-29-37(25-22-31(32)28-33)49(48,35-10-3-1-4-11-35)36-12-5-2-6-13-36;1-24-20-26(3)39(27(4)21-24)42(40-28(5)22-25(2)23-29(40)6)36-12-9-11-33-32(36)18-19-35-38(33)34-10-7-8-13-37(34)44-41(35)30-14-16-31(43)17-15-30;42-30-22-18-29(19-23-30)41-38-27-26-35-34(15-9-16-36(35)40(38)37-14-7-8-17-39(37)43-41)28-20-24-33(25-21-28)45(44,31-10-3-1-4-11-31)32-12-5-2-6-13-32;36-25-20-18-24(19-21-25)35-31-23-22-28-29(34(31)30-14-7-8-16-32(30)37-35)15-9-17-33(28)39(38,26-10-3-1-4-11-26)27-12-5-2-6-13-27/h7-27H,1-6H3;2*1-29H;7-23H,1-6H3;1-27H;1-23H
InChIKeyHANXVCZEFUZCAI-UHFFFAOYSA-N
MW3641.80 g/mol
LogP58.35
Rot. Bonds28

About 9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane

9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane (PubChem CID 158421534) has the molecular formula C254H182B2F6N6O4P4 and a molecular weight of 3641.80 g/mol. Its IUPAC name is 9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound Name9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
PubChem CID158421534
Molecular FormulaC254H182B2F6N6O4P4
Molecular Weight3641.80 g/mol
Exact Mass3639.33
IUPAC Name9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cccc3c2ccc2c(-c4ccc(F)cc4)nc4ccccc4c23)c(C)c1.Cc1cc(C)c(B(c2ccc(-c3cccc4c3ccc3c(-c5ccc(F)cc5)nc5ccccc5c34)cc2)c2c(C)cc(C)cc2C)c(C)c1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2ccc2c(-c4ccc(F)cc4)nc4ccccc4c23)c2ccccc12.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2ccc2c(-c4ccc(F)cc4)nc4ccccc4c23)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3cccc4c3ccc3c(-c5ccc(F)cc5)nc5ccccc5c34)ccc2c1.O=P(c1ccccc1)(c1ccccc1)c1cccc2c1ccc1c(-c3ccc(F)cc3)nc3ccccc3c12
InChIInChI=1S/C47H39BFN.2C45H29FNOP.C41H35BFN.C41H27FNOP.C35H23FNOP/c1-28-24-30(3)45(31(4)25-28)48(46-32(5)26-29(2)27-33(46)6)36-18-14-34(15-19-36)38-11-9-12-40-39(38)22-23-42-44(40)41-10-7-8-13-43(41)50-47(42)35-16-20-37(49)21-17-35;46-31-24-22-30(23-25-31)45-41-27-26-37-34(19-11-20-39(37)44(41)40-18-9-10-21-42(40)47-45)36-28-29-43(38-17-8-7-16-35(36)38)49(48,32-12-3-1-4-13-32)33-14-5-2-6-15-33;46-34-23-20-30(21-24-34)45-42-27-26-39-38(15-9-16-40(39)44(42)41-14-7-8-17-43(41)47-45)33-19-18-32-29-37(25-22-31(32)28-33)49(48,35-10-3-1-4-11-35)36-12-5-2-6-13-36;1-24-20-26(3)39(27(4)21-24)42(40-28(5)22-25(2)23-29(40)6)36-12-9-11-33-32(36)18-19-35-38(33)34-10-7-8-13-37(34)44-41(35)30-14-16-31(43)17-15-30;42-30-22-18-29(19-23-30)41-38-27-26-35-34(15-9-16-36(35)40(38)37-14-7-8-17-39(37)43-41)28-20-24-33(25-21-28)45(44,31-10-3-1-4-11-31)32-12-5-2-6-13-32;36-25-20-18-24(19-21-25)35-31-23-22-28-29(34(31)30-14-7-8-16-32(30)37-35)15-9-17-33(28)39(38,26-10-3-1-4-11-26)27-12-5-2-6-13-27/h7-27H,1-6H3;2*1-29H;7-23H,1-6H3;1-27H;1-23H
InChIKeyHANXVCZEFUZCAI-UHFFFAOYSA-N
XLogP58.35
TPSA145.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms276
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003641.80
LogP ≤ 558.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The IUPAC name of 9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane (CID 158421534) is 9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for 9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The canonical SMILES for 9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2cccc3c2ccc2c(-c4ccc(F)cc4)nc4ccccc4c23)c(C)c1.Cc1cc(C)c(B(c2ccc(-c3cccc4c3ccc3c(-c5ccc(F)cc5)nc5ccccc5c34)cc2)c2c(C)cc(C)cc2C)c(C)c1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2ccc2c(-c4ccc(F)cc4)nc4ccccc4c23)c2ccccc12.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2ccc2c(-c4ccc(F)cc4)nc4ccccc4c23)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3cccc4c3ccc3c(-c5ccc(F)cc5)nc5ccccc5c34)ccc2c1.O=P(c1ccccc1)(c1ccccc1)c1cccc2c1ccc1c(-c3ccc(F)cc3)nc3ccccc3c12.
What is the InChIKey of 9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The InChIKey is HANXVCZEFUZCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39BFN.2C45H29FNOP.C41H35BFN.C41H27FNOP.C35H23FNOP/c1-28-24-30(3)45(31(4)25-28)48(46-32(5)26-29(2)27-33(46)6)36-18-14-34(15-19-36)38-11-9-12-40-39(38)22-23-42-44(40)41-10-7-8-13-43(41)50-47(42)35-16-20-37(49)21-17-35;46-31-24-22-30(23-25-31)45-41-27-26-37-34(19-11-20-39(37)44(41)40-18-9-10-21-42(40)47-45)36-28-29-43(38-17-8-7-16-35(36)38)49(48,32-12-3-1-4-13-32)33-14-5-2-6-15-33;46-34-23-20-30(21-24-34)45-42-27-26-39-38(15-9-16-40(39)44(42)41-14-7-8-17-43(41)47-45)33-19-18-32-29-37(25-22-31(32)28-33)49(48,35-10-3-1-4-11-35)36-12-5-2-6-13-36;1-24-20-26(3)39(27(4)21-24)42(40-28(5)22-25(2)23-29(40)6)36-12-9-11-33-32(36)18-19-35-38(33)34-10-7-8-13-37(34)44-41(35)30-14-16-31(43)17-15-30;42-30-22-18-29(19-23-30)41-38-27-26-35-34(15-9-16-36(35)40(38)37-14-7-8-17-39(37)43-41)28-20-24-33(25-21-28)45(44,31-10-3-1-4-11-31)32-12-5-2-6-13-32;36-25-20-18-24(19-21-25)35-31-23-22-28-29(34(31)30-14-7-8-16-32(30)37-35)15-9-17-33(28)39(38,26-10-3-1-4-11-26)27-12-5-2-6-13-27/h7-27H,1-6H3;2*1-29H;7-23H,1-6H3;1-27H;1-23H.
What are the key properties of 9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 3641.80 g/mol, XLogP of 58.35, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-diphenylphosphoryl-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylnaphthalen-1-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(6-diphenylphosphorylnaphthalen-2-yl)-6-(4-fluorophenyl)benzo[k]phenanthridine;9-(4-diphenylphosphorylphenyl)-6-(4-fluorophenyl)benzo[k]phenanthridine;[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]-bis(2,4,6-trimethylphenyl)borane;[4-[6-(4-fluorophenyl)benzo[k]phenanthridin-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 158421534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).