diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane

C40H36NPS — CID 155332371

IUPACdiphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)C1(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C40H36NPS/c43-42(34-14-6-2-7-15-34,35-16-8-3-9-17-35)40(31-23-28-22-29(25-31)26-32(40)24-28)30-20-21-39-37(27-30)36-18-10-11-19-38(36)41(39)33-12-4-1-5-13-33/h1-21,27-29,31-32H,22-26H2
InChIKeyPOMYQQKTAKPOEL-UHFFFAOYSA-N
MW593.78 g/mol
LogP9.57
Rot. Bonds5

About diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane

diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane (PubChem CID 155332371) has the molecular formula C40H36NPS and a molecular weight of 593.78 g/mol. Its IUPAC name is diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane
PubChem CID155332371
Molecular FormulaC40H36NPS
Molecular Weight593.78 g/mol
Exact Mass593.23
IUPAC Namediphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccccc1)C1(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C40H36NPS/c43-42(34-14-6-2-7-15-34,35-16-8-3-9-17-35)40(31-23-28-22-29(25-31)26-32(40)24-28)30-20-21-39-37(27-30)36-18-10-11-19-38(36)41(39)33-12-4-1-5-13-33/h1-21,27-29,31-32H,22-26H2
InChIKeyPOMYQQKTAKPOEL-UHFFFAOYSA-N
XLogP9.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.78
LogP ≤ 59.57
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

3-(2-bromo-2-adamantyl)-9-phenylcarbazole
CID 155642852
[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane
CID 155642855
3-[3-(4-ethenylphenyl)-1-adamantyl]-9-phenylcarbazole
CID 121422322
9-[4-[2-(4-iodophenyl)-2-adamantyl]phenyl]carbazole
CID 155332348
9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole
CID 118965630
3-[3-(4,6-diphenylpyrimidin-2-yl)-1-adamantyl]-9-phenylcarbazole
CID 155374933
N-[4-[2-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]-2-adamantyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 168810248
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 171765135
3-N-[3-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275902
9-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-adamantyl]phenyl]carbazole
CID 155332262
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
CID 164819192

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane?
The IUPAC name of diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane (CID 155332371) is diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane?
The canonical SMILES for diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane is S=P(c1ccccc1)(c1ccccc1)C1(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane?
The InChIKey is POMYQQKTAKPOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36NPS/c43-42(34-14-6-2-7-15-34,35-16-8-3-9-17-35)40(31-23-28-22-29(25-31)26-32(40)24-28)30-20-21-39-37(27-30)36-18-10-11-19-38(36)41(39)33-12-4-1-5-13-33/h1-21,27-29,31-32H,22-26H2.
What are the key properties of diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane?
diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane has a molecular weight of 593.78 g/mol, XLogP of 9.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 155332371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).