8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]

C55H33NS — CID 163446651

IUPAC8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESc1ccc(-c2cc3c(c4c2c2cc(-c5ccc6sc7ccccc7c6c5)ccc2n4-c2ccccc2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C55H33NS/c1-3-15-34(16-4-1)42-33-44-40-21-9-13-25-48(40)55(46-23-11-7-19-38(46)39-20-8-12-24-47(39)55)53(44)54-52(42)45-32-35(27-29-49(45)56(54)37-17-5-2-6-18-37)36-28-30-51-43(31-36)41-22-10-14-26-50(41)57-51/h1-33H
InChIKeyBDBVLDZGNPXQEA-UHFFFAOYSA-N
MW739.94 g/mol
LogP14.83
Rot. Bonds3

About 8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]

8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole] (PubChem CID 163446651) has the molecular formula C55H33NS and a molecular weight of 739.94 g/mol. Its IUPAC name is 8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole].

Molecular Properties

Compound Name8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]
PubChem CID163446651
Molecular FormulaC55H33NS
Molecular Weight739.94 g/mol
Exact Mass739.23
IUPAC Name8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESc1ccc(-c2cc3c(c4c2c2cc(-c5ccc6sc7ccccc7c6c5)ccc2n4-c2ccccc2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C55H33NS/c1-3-15-34(16-4-1)42-33-44-40-21-9-13-25-48(40)55(46-23-11-7-19-38(46)39-20-8-12-24-47(39)55)53(44)54-52(42)45-32-35(27-29-49(45)56(54)37-17-5-2-6-18-37)36-28-30-51-43(31-36)41-22-10-14-26-50(41)57-51/h1-33H
InChIKeyBDBVLDZGNPXQEA-UHFFFAOYSA-N
XLogP14.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.94
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 121358660
7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122599828
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504656
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
11'-[4-(9-phenylcarbazol-4-yl)phenyl]-8'-(3-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118332070
9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole
CID 171736760

Frequently Asked Questions

What is the IUPAC name of 8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The IUPAC name of 8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole] (CID 163446651) is 8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole].
What is the SMILES notation for 8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The canonical SMILES for 8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole] is c1ccc(-c2cc3c(c4c2c2cc(-c5ccc6sc7ccccc7c6c5)ccc2n4-c2ccccc2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The InChIKey is BDBVLDZGNPXQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NS/c1-3-15-34(16-4-1)42-33-44-40-21-9-13-25-48(40)55(46-23-11-7-19-38(46)39-20-8-12-24-47(39)55)53(44)54-52(42)45-32-35(27-29-49(45)56(54)37-17-5-2-6-18-37)36-28-30-51-43(31-36)41-22-10-14-26-50(41)57-51/h1-33H.
What are the key properties of 8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole] has a molecular weight of 739.94 g/mol, XLogP of 14.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-dibenzothiophen-2-yl-6',11'-diphenylspiro[fluorene-9,12'-indeno[2,1-a]carbazole] is sourced from PubChem (CID 163446651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).