3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine

C124H91N6O3P3 — CID 161223597

IUPAC3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine
SMILESCC1(C)c2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc21.O=P(c1ccccc1)(c1ccccc1)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.O=P(c1ccccc1)(c1ccccc1)n1c2ccccc2c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)ccc21
InChIInChI=1S/C49H35N2OP.C39H31N2OP.C36H25N2OP/c52-53(39-23-9-3-10-24-39,40-25-11-4-12-26-40)51-45-30-16-13-27-41(45)42-35-38(33-34-46(42)51)50-47-31-17-14-28-43(47)49(36-19-5-1-6-20-36,37-21-7-2-8-22-37)44-29-15-18-32-48(44)50;1-39(2)33-21-11-14-24-37(33)41(43(42,29-15-5-3-6-16-29)30-17-7-4-8-18-30)38-26-25-28(27-34(38)39)40-35-22-12-9-19-31(35)32-20-10-13-23-36(32)40;39-40(27-13-3-1-4-14-27,28-15-5-2-6-16-28)38-35-22-12-9-19-31(35)32-25-26(23-24-36(32)38)37-33-20-10-7-17-29(33)30-18-8-11-21-34(30)37/h1-35H;3-27H,1-2H3;1-25H
InChIKeyUXVIWODBNORQHT-UHFFFAOYSA-N
MW1806.05 g/mol
LogP29.90
Rot. Bonds14

About 3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine

3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine (PubChem CID 161223597) has the molecular formula C124H91N6O3P3 and a molecular weight of 1806.05 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine.

Molecular Properties

Compound Name3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine
PubChem CID161223597
Molecular FormulaC124H91N6O3P3
Molecular Weight1806.05 g/mol
Exact Mass1804.64
IUPAC Name3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine
SMILESCC1(C)c2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc21.O=P(c1ccccc1)(c1ccccc1)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.O=P(c1ccccc1)(c1ccccc1)n1c2ccccc2c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)ccc21
InChIInChI=1S/C49H35N2OP.C39H31N2OP.C36H25N2OP/c52-53(39-23-9-3-10-24-39,40-25-11-4-12-26-40)51-45-30-16-13-27-41(45)42-35-38(33-34-46(42)51)50-47-31-17-14-28-43(47)49(36-19-5-1-6-20-36,37-21-7-2-8-22-37)44-29-15-18-32-48(44)50;1-39(2)33-21-11-14-24-37(33)41(43(42,29-15-5-3-6-16-29)30-17-7-4-8-18-30)38-26-25-28(27-34(38)39)40-35-22-12-9-19-31(35)32-20-10-13-23-36(32)40;39-40(27-13-3-1-4-14-27,28-15-5-2-6-16-28)38-35-22-12-9-19-31(35)32-25-26(23-24-36(32)38)37-33-20-10-7-17-29(33)30-18-8-11-21-34(30)37/h1-35H;3-27H,1-2H3;1-25H
InChIKeyUXVIWODBNORQHT-UHFFFAOYSA-N
XLogP29.90
TPSA77.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001806.05
LogP ≤ 529.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine with MolForge

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Related Compounds

2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine
CID 140928513
10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine
CID 140928502
3-(10,10-dimethyl-3-phenyl-9H-anthracen-9-yl)-9-diphenylphosphorylcarbazole;2-(3,6-diphenylcarbazol-9-yl)-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphoryl-6-phenylcarbazol-3-yl)-9,9-dimethyl-2-phenylacridine
CID 159453377
10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine
CID 140928529
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 146511336
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-3-yl)acridine
CID 153463090
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine
CID 159694810
10,10,21,21-tetramethyl-14-(9-phenylcarbazol-3-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130450658
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
29-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-22,22,33,33-tetramethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 140926861

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine?
The IUPAC name of 3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine (CID 161223597) is 3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine.
What is the SMILES notation for 3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine?
The canonical SMILES for 3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine is CC1(C)c2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc21.O=P(c1ccccc1)(c1ccccc1)n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.O=P(c1ccccc1)(c1ccccc1)n1c2ccccc2c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)ccc21.
What is the InChIKey of 3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine?
The InChIKey is UXVIWODBNORQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N2OP.C39H31N2OP.C36H25N2OP/c52-53(39-23-9-3-10-24-39,40-25-11-4-12-26-40)51-45-30-16-13-27-41(45)42-35-38(33-34-46(42)51)50-47-31-17-14-28-43(47)49(36-19-5-1-6-20-36,37-21-7-2-8-22-37)44-29-15-18-32-48(44)50;1-39(2)33-21-11-14-24-37(33)41(43(42,29-15-5-3-6-16-29)30-17-7-4-8-18-30)38-26-25-28(27-34(38)39)40-35-22-12-9-19-31(35)32-20-10-13-23-36(32)40;39-40(27-13-3-1-4-14-27,28-15-5-2-6-16-28)38-35-22-12-9-19-31(35)32-25-26(23-24-36(32)38)37-33-20-10-7-17-29(33)30-18-8-11-21-34(30)37/h1-35H;3-27H,1-2H3;1-25H.
What are the key properties of 3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine?
3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine has a molecular weight of 1806.05 g/mol, XLogP of 29.90, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine is sourced from PubChem (CID 161223597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).