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

C148H114N5O3P3 — CID 159453377

IUPAC3-(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
SMILESCC1(C)c2ccccc2C(c2ccc3c(c2)c2ccccc2n3P(=O)(c2ccccc2)c2ccccc2)c2ccc(-c3ccccc3)cc21.CC1(C)c2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc21.CC1(C)c2ccccc2N(c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3P(=O)(c2ccccc2)c2ccccc2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/2C51H39N2OP.C46H36NOP/c1-51(2)45-25-15-16-26-49(45)52(50-31-28-39(34-46(50)51)37-19-9-4-10-20-37)40-29-32-48-44(35-40)43-33-38(36-17-7-3-8-18-36)27-30-47(43)53(48)55(54,41-21-11-5-12-22-41)42-23-13-6-14-24-42;1-51(2)45-25-15-16-26-49(45)53(55(54,41-21-11-5-12-22-41)42-23-13-6-14-24-42)50-32-29-40(35-46(50)51)52-47-30-27-38(36-17-7-3-8-18-36)33-43(47)44-34-39(28-31-48(44)52)37-19-9-4-10-20-37;1-46(2)41-24-14-12-23-38(41)45(39-28-26-33(31-42(39)46)32-16-6-3-7-17-32)34-27-29-44-40(30-34)37-22-13-15-25-43(37)47(44)49(48,35-18-8-4-9-19-35)36-20-10-5-11-21-36/h2*3-35H,1-2H3;3-31,45H,1-2H3
InChIKeyLTQVAJXMSCHNDD-UHFFFAOYSA-N
MW2103.49 g/mol
LogP36.90
Rot. Bonds17

About 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

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 (PubChem CID 159453377) has the molecular formula C148H114N5O3P3 and a molecular weight of 2103.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID159453377
Molecular FormulaC148H114N5O3P3
Molecular Weight2103.49 g/mol
Exact Mass2101.81
IUPAC Name3-(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
SMILESCC1(C)c2ccccc2C(c2ccc3c(c2)c2ccccc2n3P(=O)(c2ccccc2)c2ccccc2)c2ccc(-c3ccccc3)cc21.CC1(C)c2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc21.CC1(C)c2ccccc2N(c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3P(=O)(c2ccccc2)c2ccccc2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/2C51H39N2OP.C46H36NOP/c1-51(2)45-25-15-16-26-49(45)52(50-31-28-39(34-46(50)51)37-19-9-4-10-20-37)40-29-32-48-44(35-40)43-33-38(36-17-7-3-8-18-36)27-30-47(43)53(48)55(54,41-21-11-5-12-22-41)42-23-13-6-14-24-42;1-51(2)45-25-15-16-26-49(45)53(55(54,41-21-11-5-12-22-41)42-23-13-6-14-24-42)50-32-29-40(35-46(50)51)52-47-30-27-38(36-17-7-3-8-18-36)33-43(47)44-34-39(28-31-48(44)52)37-19-9-4-10-20-37;1-46(2)41-24-14-12-23-38(41)45(39-28-26-33(31-42(39)46)32-16-6-3-7-17-32)34-27-29-44-40(30-34)37-22-13-15-25-43(37)47(44)49(48,35-18-8-4-9-19-35)36-20-10-5-11-21-36/h2*3-35H,1-2H3;3-31,45H,1-2H3
InChIKeyLTQVAJXMSCHNDD-UHFFFAOYSA-N
XLogP36.90
TPSA72.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms159
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002103.49
LogP ≤ 536.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine
CID 140928529
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
2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine
CID 140928513
10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine
CID 140928502
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine
CID 121475671
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine;10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 157103657
5-(9,9-dimethyl-10-phenylacridin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67326458
8,8,14,14-tetramethyl-5,17-diphenyl-11-[9-phenyl-6-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazol-3-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330383

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2C(c2ccc3c(c2)c2ccccc2n3P(=O)(c2ccccc2)c2ccccc2)c2ccc(-c3ccccc3)cc21.CC1(C)c2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc21.CC1(C)c2ccccc2N(c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3P(=O)(c2ccccc2)c2ccccc2)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 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?
The InChIKey is LTQVAJXMSCHNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H39N2OP.C46H36NOP/c1-51(2)45-25-15-16-26-49(45)52(50-31-28-39(34-46(50)51)37-19-9-4-10-20-37)40-29-32-48-44(35-40)43-33-38(36-17-7-3-8-18-36)27-30-47(43)53(48)55(54,41-21-11-5-12-22-41)42-23-13-6-14-24-42;1-51(2)45-25-15-16-26-49(45)53(55(54,41-21-11-5-12-22-41)42-23-13-6-14-24-42)50-32-29-40(35-46(50)51)52-47-30-27-38(36-17-7-3-8-18-36)33-43(47)44-34-39(28-31-48(44)52)37-19-9-4-10-20-37;1-46(2)41-24-14-12-23-38(41)45(39-28-26-33(31-42(39)46)32-16-6-3-7-17-32)34-27-29-44-40(30-34)37-22-13-15-25-43(37)47(44)49(48,35-18-8-4-9-19-35)36-20-10-5-11-21-36/h2*3-35H,1-2H3;3-31,45H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2103.49 g/mol, XLogP of 36.90, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159453377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).