3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole

C190H120F2N14O4P4 — CID 157189690

IUPAC3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole
SMILESO=P(c1ccccc1)(c1ccc2c(c1)c1cc(-c3cccc4cccnc34)ccc1n2-c1ccccc1)c1ccc2c(c1)c1cc(-c3cccc4cccnc34)ccc1n2-c1ccccc1.O=P(c1ccccc1)(c1ccc2c(c1)c1cc(F)ccc1n2-c1ccccc1)c1ccc2c(c1)c1cc(F)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(P(=O)(c3ccccc3)c3ccc4c(c3)c3cc(C#N)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c3ccc(P(=O)(c4ccccc4)c4ccc5c6ccc(C#N)cc6n(-c6ccccc6)c5c4)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C60H39N4OP.2C44H27N4OP.C42H27F2N2OP/c65-66(46-22-8-3-9-23-46,47-28-32-57-53(38-47)51-36-42(49-24-10-14-40-16-12-34-61-59(40)49)26-30-55(51)63(57)44-18-4-1-5-19-44)48-29-33-58-54(39-48)52-37-43(50-25-11-15-41-17-13-35-62-60(41)50)27-31-56(52)64(58)45-20-6-2-7-21-45;1-46-31-18-22-42-38(26-31)40-28-36(20-24-44(40)48(42)33-13-7-3-8-14-33)50(49,34-15-9-4-10-16-34)35-19-23-43-39(27-35)37-25-30(29-45)17-21-41(37)47(43)32-11-5-2-6-12-32;1-46-31-18-22-38-40-24-20-36(28-44(40)48(42(38)26-31)33-13-7-3-8-14-33)50(49,34-15-9-4-10-16-34)35-19-23-39-37-21-17-30(29-45)25-41(37)47(43(39)27-35)32-11-5-2-6-12-32;43-28-16-20-39-35(24-28)37-26-33(18-22-41(37)45(39)30-10-4-1-5-11-30)48(47,32-14-8-3-9-15-32)34-19-23-42-38(27-34)36-25-29(44)17-21-40(36)46(42)31-12-6-2-7-13-31/h1-39H;2*2-28H;1-27H
InChIKeyAPNZJVOVIBHGCU-UHFFFAOYSA-N
MW2825.04 g/mol
LogP43.63
Rot. Bonds22

About 3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole

3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole (PubChem CID 157189690) has the molecular formula C190H120F2N14O4P4 and a molecular weight of 2825.04 g/mol. Its IUPAC name is 3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole.

Molecular Properties

Compound Name3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole
PubChem CID157189690
Molecular FormulaC190H120F2N14O4P4
Molecular Weight2825.04 g/mol
Exact Mass2822.85
IUPAC Name3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole
SMILESO=P(c1ccccc1)(c1ccc2c(c1)c1cc(-c3cccc4cccnc34)ccc1n2-c1ccccc1)c1ccc2c(c1)c1cc(-c3cccc4cccnc34)ccc1n2-c1ccccc1.O=P(c1ccccc1)(c1ccc2c(c1)c1cc(F)ccc1n2-c1ccccc1)c1ccc2c(c1)c1cc(F)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(P(=O)(c3ccccc3)c3ccc4c(c3)c3cc(C#N)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c3ccc(P(=O)(c4ccccc4)c4ccc5c6ccc(C#N)cc6n(-c6ccccc6)c5c4)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C60H39N4OP.2C44H27N4OP.C42H27F2N2OP/c65-66(46-22-8-3-9-23-46,47-28-32-57-53(38-47)51-36-42(49-24-10-14-40-16-12-34-61-59(40)49)26-30-55(51)63(57)44-18-4-1-5-19-44)48-29-33-58-54(39-48)52-37-43(50-25-11-15-41-17-13-35-62-60(41)50)27-31-56(52)64(58)45-20-6-2-7-21-45;1-46-31-18-22-42-38(26-31)40-28-36(20-24-44(40)48(42)33-13-7-3-8-14-33)50(49,34-15-9-4-10-16-34)35-19-23-43-39(27-35)37-25-30(29-45)17-21-41(37)47(43)32-11-5-2-6-12-32;1-46-31-18-22-38-40-24-20-36(28-44(40)48(42(38)26-31)33-13-7-3-8-14-33)50(49,34-15-9-4-10-16-34)35-19-23-39-37-21-17-30(29-45)25-41(37)47(43(39)27-35)32-11-5-2-6-12-32;43-28-16-20-39-35(24-28)37-26-33(18-22-41(37)45(39)30-10-4-1-5-11-30)48(47,32-14-8-3-9-15-32)34-19-23-42-38(27-34)36-25-29(44)17-21-40(36)46(42)31-12-6-2-7-13-31/h1-39H;2*2-28H;1-27H
InChIKeyAPNZJVOVIBHGCU-UHFFFAOYSA-N
XLogP43.63
TPSA189.80 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002825.04
LogP ≤ 543.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

6-[(7-cyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile
CID 134602601
6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9,10-dipyridin-3-ylanthracen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9,10-dipyridin-4-ylanthracen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenyl-10-pyridin-3-ylanthracen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenyl-10-pyridin-4-ylanthracen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenyl-10-quinolin-8-ylanthracen-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 161162508
2-[4-[7-(3,5-dipyridin-2-ylphenyl)pyren-2-yl]phenyl]-7-isocyano-9-phenylcarbazole;2-isocyano-9-phenyl-7-[4-[7-(4-quinolin-8-ylphenyl)pyren-2-yl]phenyl]carbazole
CID 161445805
6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9,10-dipyridin-2-ylanthracen-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 123176702
6-isocyano-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazole-3-carbonitrile
CID 123627774
9-[3-isocyano-5-[3-(20-phenyl-3,8,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-3-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 153437521
9-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 157137099
5-[7-(4-isocyanophenyl)-9-phenylcarbazol-2-yl]-1,10-phenanthroline
CID 153433572
6-[3-(4,13-diazahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21,23,25-tridecaen-12-yl)phenyl]-9-phenylcarbazole-2-carbonitrile
CID 129265783
9-[3-[3-(2-isocyano-11-phenylindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140823063
2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile
CID 162155580
9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3-cyano-6-isocyanocarbazol-9-yl)-9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-yl]-6-isocyanocarbazole-3-carbonitrile;9-[6-(3,6-difluorocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-3,6-difluorocarbazole
CID 158367441

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole?
The IUPAC name of 3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole (CID 157189690) is 3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole.
What is the SMILES notation for 3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole?
The canonical SMILES for 3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole is O=P(c1ccccc1)(c1ccc2c(c1)c1cc(-c3cccc4cccnc34)ccc1n2-c1ccccc1)c1ccc2c(c1)c1cc(-c3cccc4cccnc34)ccc1n2-c1ccccc1.O=P(c1ccccc1)(c1ccc2c(c1)c1cc(F)ccc1n2-c1ccccc1)c1ccc2c(c1)c1cc(F)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(P(=O)(c3ccccc3)c3ccc4c(c3)c3cc(C#N)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c3ccc(P(=O)(c4ccccc4)c4ccc5c6ccc(C#N)cc6n(-c6ccccc6)c5c4)cc3n(-c3ccccc3)c2c1.
What is the InChIKey of 3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole?
The InChIKey is APNZJVOVIBHGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N4OP.2C44H27N4OP.C42H27F2N2OP/c65-66(46-22-8-3-9-23-46,47-28-32-57-53(38-47)51-36-42(49-24-10-14-40-16-12-34-61-59(40)49)26-30-55(51)63(57)44-18-4-1-5-19-44)48-29-33-58-54(39-48)52-37-43(50-25-11-15-41-17-13-35-62-60(41)50)27-31-56(52)64(58)45-20-6-2-7-21-45;1-46-31-18-22-42-38(26-31)40-28-36(20-24-44(40)48(42)33-13-7-3-8-14-33)50(49,34-15-9-4-10-16-34)35-19-23-43-39(27-35)37-25-30(29-45)17-21-41(37)47(43)32-11-5-2-6-12-32;1-46-31-18-22-38-40-24-20-36(28-44(40)48(42(38)26-31)33-13-7-3-8-14-33)50(49,34-15-9-4-10-16-34)35-19-23-39-37-21-17-30(29-45)25-41(37)47(43(39)27-35)32-11-5-2-6-12-32;43-28-16-20-39-35(24-28)37-26-33(18-22-41(37)45(39)30-10-4-1-5-11-30)48(47,32-14-8-3-9-15-32)34-19-23-42-38(27-34)36-25-29(44)17-21-40(36)46(42)31-12-6-2-7-13-31/h1-39H;2*2-28H;1-27H.
What are the key properties of 3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole?
3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole has a molecular weight of 2825.04 g/mol, XLogP of 43.63, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-[(6-fluoro-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole;6-[(6-isocyano-9-phenylcarbazol-3-yl)-phenylphosphoryl]-9-phenylcarbazole-3-carbonitrile;7-[(7-isocyano-9-phenylcarbazol-2-yl)-phenylphosphoryl]-9-phenylcarbazole-2-carbonitrile;9-phenyl-3-[phenyl-(9-phenyl-6-quinolin-8-ylcarbazol-3-yl)phosphoryl]-6-quinolin-8-ylcarbazole is sourced from PubChem (CID 157189690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).