9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole

C49H29NS — CID 171736760

IUPAC9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4sc5ccccc5c4c3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C49H29NS/c1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)43-28-31(30-22-26-48-40(27-30)39-15-5-10-20-47(39)51-48)21-24-35(43)36-25-23-32(29-44(36)49)50-45-18-8-3-13-37(45)38-14-4-9-19-46(38)50/h1-29H
InChIKeyBTLUIHXLTTUPAP-UHFFFAOYSA-N
MW663.85 g/mol
LogP13.16
Rot. Bonds2

About 9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole

9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole (PubChem CID 171736760) has the molecular formula C49H29NS and a molecular weight of 663.85 g/mol. Its IUPAC name is 9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole.

Molecular Properties

Compound Name9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole
PubChem CID171736760
Molecular FormulaC49H29NS
Molecular Weight663.85 g/mol
Exact Mass663.20
IUPAC Name9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4sc5ccccc5c4c3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C49H29NS/c1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)43-28-31(30-22-26-48-40(27-30)39-15-5-10-20-47(39)51-48)21-24-35(43)36-25-23-32(29-44(36)49)50-45-18-8-3-13-37(45)38-14-4-9-19-46(38)50/h1-29H
InChIKeyBTLUIHXLTTUPAP-UHFFFAOYSA-N
XLogP13.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.85
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;9-(9,9'-spirobi[fluorene]-3-yl)carbazole;2-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran;2-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene
CID 158488160
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809995
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 154602202
CID 144619443
CID 144619443
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 121424797
9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 88886986
3-[9-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-9-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118099006
3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 90215122

Frequently Asked Questions

What is the IUPAC name of 9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole?
The IUPAC name of 9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole (CID 171736760) is 9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole.
What is the SMILES notation for 9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole?
The canonical SMILES for 9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole is c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4sc5ccccc5c4c3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole?
The InChIKey is BTLUIHXLTTUPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NS/c1-6-16-41-33(11-1)34-12-2-7-17-42(34)49(41)43-28-31(30-22-26-48-40(27-30)39-15-5-10-20-47(39)51-48)21-24-35(43)36-25-23-32(29-44(36)49)50-45-18-8-3-13-37(45)38-14-4-9-19-46(38)50/h1-29H.
What are the key properties of 9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole?
9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole has a molecular weight of 663.85 g/mol, XLogP of 13.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole is sourced from PubChem (CID 171736760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).