22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene

C26H16NO2PS — CID 164713978

IUPAC22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene
SMILESS=P12c3ccccc3Oc3cccc(c31)Oc1c2n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C26H16NO2PS/c31-30-23-16-7-6-13-20(23)28-21-14-8-15-22(25(21)30)29-24-18-11-4-5-12-19(18)27(26(24)30)17-9-2-1-3-10-17/h1-16H
InChIKeyHWEHDKGPBIUNKR-UHFFFAOYSA-N
MW437.46 g/mol
LogP5.60
Rot. Bonds1

About 22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene

22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene (PubChem CID 164713978) has the molecular formula C26H16NO2PS and a molecular weight of 437.46 g/mol. Its IUPAC name is 22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene.

Molecular Properties

Compound Name22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene
PubChem CID164713978
Molecular FormulaC26H16NO2PS
Molecular Weight437.46 g/mol
Exact Mass437.06
IUPAC Name22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene
SMILESS=P12c3ccccc3Oc3cccc(c31)Oc1c2n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C26H16NO2PS/c31-30-23-16-7-6-13-20(23)28-21-14-8-15-22(25(21)30)29-24-18-11-4-5-12-19(18)27(26(24)30)17-9-2-1-3-10-17/h1-16H
InChIKeyHWEHDKGPBIUNKR-UHFFFAOYSA-N
XLogP5.60
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.46
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene with MolForge

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Related Compounds

9-[3-[18-(3-carbazol-9-ylphenyl)-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]carbazole
CID 118220121
9-(1-sulfanylidene-15,21-dioxa-5-thia-1λ5-phosphaheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2(14),3,6,8,10,12,16,18,20(28),22,24,26-dodecaen-18-yl)carbazole
CID 118220014
11-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220322
10-carbazol-9-yl-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220321
11-(9-phenylcarbazol-3-yl)-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene 1-oxide
CID 118220317
18-(4-carbazol-9-ylphenyl)-12-phenyl-15,21-dioxa-12-aza-1λ5-phosphaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16,18,20(28),22,24,26-dodecaene 1-oxide
CID 118219952
23-carbazol-9-yl-20,26-dioxa-1λ5-phosphaoctacyclo[19.11.1.02,19.05,18.06,11.012,17.025,33.027,32]tritriaconta-2(19),3,5(18),6,8,10,12,14,16,21,23,25(33),27,29,31-pentadecaene 1-oxide
CID 118220271
10,12-di(carbazol-9-yl)-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide
CID 118219773
22-naphthalen-1-yl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 134317460
10-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)phenoxaphosphinine 10-oxide
CID 153291842
1-carbazol-9-yl-10-phenylphenoxazine
CID 175123685
12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 118442312

Frequently Asked Questions

What is the IUPAC name of 22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene?
The IUPAC name of 22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene (CID 164713978) is 22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene.
What is the SMILES notation for 22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene?
The canonical SMILES for 22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene is S=P12c3ccccc3Oc3cccc(c31)Oc1c2n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene?
The InChIKey is HWEHDKGPBIUNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16NO2PS/c31-30-23-16-7-6-13-20(23)28-21-14-8-15-22(25(21)30)29-24-18-11-4-5-12-19(18)27(26(24)30)17-9-2-1-3-10-17/h1-16H.
What are the key properties of 22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene?
22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene has a molecular weight of 437.46 g/mol, XLogP of 5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22-phenyl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9(24),10,12,15(23),16,18,20-decaene is sourced from PubChem (CID 164713978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).