7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole

C38H26N2S — CID 118503125

IUPAC7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)nc3)ccc21
InChIInChI=1S/C38H26N2S/c1-38(2)31-12-6-3-9-25(31)28-19-23(15-17-32(28)38)24-16-18-37(39-22-24)40-33-13-7-4-10-26(33)29-20-30-27-11-5-8-14-35(27)41-36(30)21-34(29)40/h3-22H,1-2H3
InChIKeyFYURCYHMKSHRQH-UHFFFAOYSA-N
MW542.71 g/mol
LogP10.52
Rot. Bonds2

About 7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole

7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole (PubChem CID 118503125) has the molecular formula C38H26N2S and a molecular weight of 542.71 g/mol. Its IUPAC name is 7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole
PubChem CID118503125
Molecular FormulaC38H26N2S
Molecular Weight542.71 g/mol
Exact Mass542.18
IUPAC Name7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)nc3)ccc21
InChIInChI=1S/C38H26N2S/c1-38(2)31-12-6-3-9-25(31)28-19-23(15-17-32(28)38)24-16-18-37(39-22-24)40-33-13-7-4-10-26(33)29-20-30-27-11-5-8-14-35(27)41-36(30)21-34(29)40/h3-22H,1-2H3
InChIKeyFYURCYHMKSHRQH-UHFFFAOYSA-N
XLogP10.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.71
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 118502384
5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole
CID 121298607
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223615
15-[4-[4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]-19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 89492523
5-(7-dibenzothiophen-3-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 170279174
12-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 118503220
7-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-b]carbazole;7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole
CID 159655404
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 146602380
11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 118502886
5-[2-(4-dibenzothiophen-2-ylphenyl)-4-(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592258
32-(4-dibenzothiophen-2-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
CID 122527974
9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole
CID 126632452

Frequently Asked Questions

What is the IUPAC name of 7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole (CID 118503125) is 7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)nc3)ccc21.
What is the InChIKey of 7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is FYURCYHMKSHRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2S/c1-38(2)31-12-6-3-9-25(31)28-19-23(15-17-32(28)38)24-16-18-37(39-22-24)40-33-13-7-4-10-26(33)29-20-30-27-11-5-8-14-35(27)41-36(30)21-34(29)40/h3-22H,1-2H3.
What are the key properties of 7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole?
7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 542.71 g/mol, XLogP of 10.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 118503125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).