9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole

C43H25NS — CID 159106229

IUPAC9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole
SMILESc1ccc2c(c1)Cc1c-2c2ccccc2c2c1c1ccccc1c1sc3c(-n4c5ccccc5c5ccccc54)cccc3c12
InChIInChI=1S/C43H25NS/c1-2-13-26-25(12-1)24-34-38(26)29-16-3-4-17-30(29)40-39(34)31-18-5-6-19-32(31)43-41(40)33-20-11-23-37(42(33)45-43)44-35-21-9-7-14-27(35)28-15-8-10-22-36(28)44/h1-23H,24H2
InChIKeyYIIVRJBYFCHEPS-UHFFFAOYSA-N
MW587.75 g/mol
LogP12.18
Rot. Bonds1

About 9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole

9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole (PubChem CID 159106229) has the molecular formula C43H25NS and a molecular weight of 587.75 g/mol. Its IUPAC name is 9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole.

Molecular Properties

Compound Name9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole
PubChem CID159106229
Molecular FormulaC43H25NS
Molecular Weight587.75 g/mol
Exact Mass587.17
IUPAC Name9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole
SMILESc1ccc2c(c1)Cc1c-2c2ccccc2c2c1c1ccccc1c1sc3c(-n4c5ccccc5c5ccccc54)cccc3c12
InChIInChI=1S/C43H25NS/c1-2-13-26-25(12-1)24-34-38(26)29-16-3-4-17-30(29)40-39(34)31-18-5-6-19-32(31)43-41(40)33-20-11-23-37(42(33)45-43)44-35-21-9-7-14-27(35)28-15-8-10-22-36(28)44/h1-23H,24H2
InChIKeyYIIVRJBYFCHEPS-UHFFFAOYSA-N
XLogP12.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.75
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole with MolForge

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Related Compounds

9,14-bis(9H-fluoren-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 130432276
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 169011010
pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-3-carbaldehyde
CID 177323935
9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;4-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene;4,6-di(dibenzothiophen-4-yl)dibenzothiophene;4-[3,5-di(dibenzothiophen-4-yl)-2,4,6-trimethylphenyl]dibenzothiophene;2,4,6-tri(dibenzothiophen-4-yl)-1,3,5-triazine
CID 159979274
8-[6-[2-(6-carbazol-9-yldibenzothiophen-4-yl)phenyl]dibenzothiophen-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099675
12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 170284217
9-(8-dibenzothiophen-4-yl-6-isocyanodibenzothiophen-4-yl)carbazole
CID 160573868
3-(3,5-dimethylphenyl)-9-(9H-fluoren-4-yl)carbazole
CID 118504532
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzothiophen-4-yl]-[1]benzothiolo[2,3-a]carbazole
CID 156574802
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-4-yl]carbazole
CID 169011339
5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole
CID 126656177
15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 158856907

Frequently Asked Questions

What is the IUPAC name of 9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole?
The IUPAC name of 9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole (CID 159106229) is 9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole.
What is the SMILES notation for 9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole?
The canonical SMILES for 9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole is c1ccc2c(c1)Cc1c-2c2ccccc2c2c1c1ccccc1c1sc3c(-n4c5ccccc5c5ccccc54)cccc3c12.
What is the InChIKey of 9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole?
The InChIKey is YIIVRJBYFCHEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NS/c1-2-13-26-25(12-1)24-34-38(26)29-16-3-4-17-30(29)40-39(34)31-18-5-6-19-32(31)43-41(40)33-20-11-23-37(42(33)45-43)44-35-21-9-7-14-27(35)28-15-8-10-22-36(28)44/h1-23H,24H2.
What are the key properties of 9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole?
9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole has a molecular weight of 587.75 g/mol, XLogP of 12.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-thiaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaen-7-yl)carbazole is sourced from PubChem (CID 159106229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).