10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine

C39H31N2OP — CID 140928502

IUPAC10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3P(=O)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C39H31N2OP/c1-39(2)33-20-10-13-23-37(33)40(38-24-14-11-21-34(38)39)28-25-26-36-32(27-28)31-19-9-12-22-35(31)41(36)43(42,29-15-5-3-6-16-29)30-17-7-4-8-18-30/h3-27H,1-2H3
InChIKeyCTAAQUJBTARAOH-UHFFFAOYSA-N
MW574.66 g/mol
LogP9.68
Rot. Bonds4

About 10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine

10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine (PubChem CID 140928502) has the molecular formula C39H31N2OP and a molecular weight of 574.66 g/mol. Its IUPAC name is 10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine.

Molecular Properties

Compound Name10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine
PubChem CID140928502
Molecular FormulaC39H31N2OP
Molecular Weight574.66 g/mol
Exact Mass574.22
IUPAC Name10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3P(=O)(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C39H31N2OP/c1-39(2)33-20-10-13-23-37(33)40(38-24-14-11-21-34(38)39)28-25-26-36-32(27-28)31-19-9-12-22-35(31)41(36)43(42,29-15-5-3-6-16-29)30-17-7-4-8-18-30/h3-27H,1-2H3
InChIKeyCTAAQUJBTARAOH-UHFFFAOYSA-N
XLogP9.68
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.66
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
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
2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine
CID 140928513
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine
CID 134194146
10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine
CID 140928529
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine
CID 140917933
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
9,9-dimethyl-10-[4-(9-methylcarbazol-3-yl)phenyl]acridine
CID 130353436
2,7,9,9-tetramethyl-10-(9-methylcarbazol-3-yl)acridine
CID 158231626

Frequently Asked Questions

What is the IUPAC name of 10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine?
The IUPAC name of 10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine (CID 140928502) is 10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine.
What is the SMILES notation for 10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine?
The canonical SMILES for 10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3P(=O)(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of 10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine?
The InChIKey is CTAAQUJBTARAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N2OP/c1-39(2)33-20-10-13-23-37(33)40(38-24-14-11-21-34(38)39)28-25-26-36-32(27-28)31-19-9-12-22-35(31)41(36)43(42,29-15-5-3-6-16-29)30-17-7-4-8-18-30/h3-27H,1-2H3.
What are the key properties of 10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine?
10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine has a molecular weight of 574.66 g/mol, XLogP of 9.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine is sourced from PubChem (CID 140928502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).