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

C36H20NO2PS2 — CID 118220014

IUPAC9-(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
SMILESS=P12c3ccccc3Oc3cc(-n4c5ccccc5c5ccccc54)cc(c31)Oc1cc3c(cc12)sc1ccccc13
InChIInChI=1S/C36H20NO2PS2/c41-40-32-15-7-6-14-28(32)38-30-17-21(37-26-12-4-1-9-22(26)23-10-2-5-13-27(23)37)18-31(36(30)40)39-29-19-25-24-11-3-8-16-34(24)42-35(25)20-33(29)40/h1-20H
InChIKeyDMDHUHHYMJFUEW-UHFFFAOYSA-N
MW593.67 g/mol
LogP9.12
Rot. Bonds1

About 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

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 (PubChem CID 118220014) has the molecular formula C36H20NO2PS2 and a molecular weight of 593.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID118220014
Molecular FormulaC36H20NO2PS2
Molecular Weight593.67 g/mol
Exact Mass593.07
IUPAC Name9-(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
SMILESS=P12c3ccccc3Oc3cc(-n4c5ccccc5c5ccccc54)cc(c31)Oc1cc3c(cc12)sc1ccccc13
InChIInChI=1S/C36H20NO2PS2/c41-40-32-15-7-6-14-28(32)38-30-17-21(37-26-12-4-1-9-22(26)23-10-2-5-13-27(23)37)18-31(36(30)40)39-29-19-25-24-11-3-8-16-34(24)42-35(25)20-33(29)40/h1-20H
InChIKeyDMDHUHHYMJFUEW-UHFFFAOYSA-N
XLogP9.12
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.67
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
3-dibenzothiophen-2-yl-9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazole
CID 123330057
5-(3-dibenzothiophen-4-ylphenyl)-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 118219789
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
18-(4-carbazol-9-ylphenyl)-15,21-dioxa-12-thia-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 118219930
dibenzothiophene;9-phenylcarbazole
CID 142415981
7-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 118503110
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
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
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is S=P12c3ccccc3Oc3cc(-n4c5ccccc5c5ccccc54)cc(c31)Oc1cc3c(cc12)sc1ccccc13.
What is the InChIKey of 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?
The InChIKey is DMDHUHHYMJFUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20NO2PS2/c41-40-32-15-7-6-14-28(32)38-30-17-21(37-26-12-4-1-9-22(26)23-10-2-5-13-27(23)37)18-31(36(30)40)39-29-19-25-24-11-3-8-16-34(24)42-35(25)20-33(29)40/h1-20H.
What are the key properties of 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?
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 has a molecular weight of 593.67 g/mol, XLogP of 9.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118220014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).