3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole

C37H30NOP — CID 129263939

IUPAC3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole
SMILESCC1Cc2c(c3ccccc3n2-c2ccccc2)C=C1c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H30NOP/c1-27-25-37-35(33-19-11-12-20-36(33)38(37)29-13-5-2-6-14-29)26-34(27)28-21-23-32(24-22-28)40(39,30-15-7-3-8-16-30)31-17-9-4-10-18-31/h2-24,26-27H,25H2,1H3
InChIKeyRZFVCPUJBHUHDO-UHFFFAOYSA-N
MW535.63 g/mol
LogP8.00
Rot. Bonds5

About 3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole

3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole (PubChem CID 129263939) has the molecular formula C37H30NOP and a molecular weight of 535.63 g/mol. Its IUPAC name is 3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole
PubChem CID129263939
Molecular FormulaC37H30NOP
Molecular Weight535.63 g/mol
Exact Mass535.21
IUPAC Name3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole
SMILESCC1Cc2c(c3ccccc3n2-c2ccccc2)C=C1c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C37H30NOP/c1-27-25-37-35(33-19-11-12-20-36(33)38(37)29-13-5-2-6-14-29)26-34(27)28-21-23-32(24-22-28)40(39,30-15-7-3-8-16-30)31-17-9-4-10-18-31/h2-24,26-27H,25H2,1H3
InChIKeyRZFVCPUJBHUHDO-UHFFFAOYSA-N
XLogP8.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.63
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole
CID 139470456
[6-[2-methyl-3-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]dibenzofuran-4-yl]boronic acid
CID 144782167
3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
CID 157211543
5-bis(4-phenylphenyl)phosphoryl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 138742058
2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole
CID 167189368
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-(2-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]pyridin-2-amine
CID 146669743
3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole
CID 155483677
14-(4-diphenylphosphorylphenyl)-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123212
6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 134552769
3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
CID 146386930
3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)-6-(4-phenylphenyl)sulfanylcarbazole
CID 87159597
4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole
CID 163512685

Frequently Asked Questions

What is the IUPAC name of 3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole?
The IUPAC name of 3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole (CID 129263939) is 3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole.
What is the SMILES notation for 3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole?
The canonical SMILES for 3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole is CC1Cc2c(c3ccccc3n2-c2ccccc2)C=C1c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole?
The InChIKey is RZFVCPUJBHUHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30NOP/c1-27-25-37-35(33-19-11-12-20-36(33)38(37)29-13-5-2-6-14-29)26-34(27)28-21-23-32(24-22-28)40(39,30-15-7-3-8-16-30)31-17-9-4-10-18-31/h2-24,26-27H,25H2,1H3.
What are the key properties of 3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole?
3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole has a molecular weight of 535.63 g/mol, XLogP of 8.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-diphenylphosphorylphenyl)-2-methyl-9-phenyl-1,2-dihydrocarbazole is sourced from PubChem (CID 129263939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).