(4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane

C42H31N2PS — CID 147490956

IUPAC(4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C42H31N2PS/c46-45(32-12-2-1-3-13-32,33-26-22-30(23-27-33)43-39-18-8-4-14-35(39)36-15-5-9-19-40(36)43)34-28-24-31(25-29-34)44-41-20-10-6-16-37(41)38-17-7-11-21-42(38)44/h1-6,8-16,18-29H,7,17H2
InChIKeyFFMZYRNNRLURJY-UHFFFAOYSA-N
MW626.77 g/mol
LogP9.44
Rot. Bonds5

About (4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane

(4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane (PubChem CID 147490956) has the molecular formula C42H31N2PS and a molecular weight of 626.77 g/mol. Its IUPAC name is (4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane
PubChem CID147490956
Molecular FormulaC42H31N2PS
Molecular Weight626.77 g/mol
Exact Mass626.19
IUPAC Name(4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(c1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C42H31N2PS/c46-45(32-12-2-1-3-13-32,33-26-22-30(23-27-33)43-39-18-8-4-14-35(39)36-15-5-9-19-40(36)43)34-28-24-31(25-29-34)44-41-20-10-6-16-37(41)38-17-7-11-21-42(38)44/h1-6,8-16,18-29H,7,17H2
InChIKeyFFMZYRNNRLURJY-UHFFFAOYSA-N
XLogP9.44
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.77
LogP ≤ 59.44
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

9-[4-[[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenylphosphoryl]phenyl]carbazole
CID 88928125
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 170262472
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole
CID 143423702
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994

Frequently Asked Questions

What is the IUPAC name of (4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of (4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane (CID 147490956) is (4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane is S=P(c1ccccc1)(c1ccc(-n2c3c(c4ccccc42)CCC=C3)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of (4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane?
The InChIKey is FFMZYRNNRLURJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N2PS/c46-45(32-12-2-1-3-13-32,33-26-22-30(23-27-33)43-39-18-8-4-14-35(39)36-15-5-9-19-40(36)43)34-28-24-31(25-29-34)44-41-20-10-6-16-37(41)38-17-7-11-21-42(38)44/h1-6,8-16,18-29H,7,17H2.
What are the key properties of (4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane?
(4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane has a molecular weight of 626.77 g/mol, XLogP of 9.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 147490956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).