3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene]

C61H36N2OS — CID 129306364

IUPAC3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2ccc3c(c2)sc2ccccc23)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)oc3ccccc34)ccc21
InChIInChI=1S/C61H36N2OS/c1-6-18-49-41(13-1)42-14-2-7-19-50(42)61(49)51-20-8-10-22-55(51)63(40-28-30-47-46-17-5-12-24-59(46)65-60(47)36-40)56-34-38(25-31-52(56)61)37-26-32-54-48(33-37)43-15-3-9-21-53(43)62(54)39-27-29-45-44-16-4-11-23-57(44)64-58(45)35-39/h1-36H
InChIKeyYTAOVFKGLZJBOP-UHFFFAOYSA-N
MW845.04 g/mol
LogP16.86
Rot. Bonds3

About 3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene]

3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene] (PubChem CID 129306364) has the molecular formula C61H36N2OS and a molecular weight of 845.04 g/mol. Its IUPAC name is 3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene]
PubChem CID129306364
Molecular FormulaC61H36N2OS
Molecular Weight845.04 g/mol
Exact Mass844.25
IUPAC Name3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2ccc3c(c2)sc2ccccc23)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)oc3ccccc34)ccc21
InChIInChI=1S/C61H36N2OS/c1-6-18-49-41(13-1)42-14-2-7-19-50(42)61(49)51-20-8-10-22-55(51)63(40-28-30-47-46-17-5-12-24-59(46)65-60(47)36-40)56-34-38(25-31-52(56)61)37-26-32-54-48(33-37)43-15-3-9-21-53(43)62(54)39-27-29-45-44-16-4-11-23-57(44)64-58(45)35-39/h1-36H
InChIKeyYTAOVFKGLZJBOP-UHFFFAOYSA-N
XLogP16.86
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.04
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170688567
3-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;3-(8-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(8-carbazol-9-yldibenzothiophen-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole;4-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole;4-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 167651688
11-dibenzofuran-2-yl-[1]benzothiolo[3,2-b]carbazole;11-dibenzofuran-3-yl-[1]benzothiolo[3,2-b]carbazole;11-dibenzothiophen-2-yl-[1]benzothiolo[3,2-b]carbazole;11-dibenzothiophen-3-yl-[1]benzothiolo[3,2-b]carbazole;11-(9,9-dimethylfluoren-3-yl)-[1]benzothiolo[3,2-b]carbazole
CID 160576509
3-[9-(10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497124
9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole
CID 170278507
9-dibenzothiophen-3-yl-3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaen-5-yl)carbazole
CID 134301066
6-(7-carbazol-9-yldibenzothiophen-3-yl)-[1]benzofuro[2,3-b]indole;6-(8-carbazol-9-yldibenzothiophen-2-yl)-[1]benzofuro[2,3-b]indole;6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole;6-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]indole;6-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole;6-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-b]indole;6-(7-carbazol-9-yl-10-phenylspiro[acridine-9,9'-fluorene]-2-yl)-[1]benzofuro[2,3-b]indole;6-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-[1]benzofuro[2,3-b]indole
CID 167624130
3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 167557887
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
3-dibenzofuran-2-yl-9-[7-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-yl]carbazole
CID 170279003
9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole
CID 171736760

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene]?
The IUPAC name of 3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene] (CID 129306364) is 3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene].
What is the SMILES notation for 3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene]?
The canonical SMILES for 3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2N(c2ccc3c(c2)sc2ccccc23)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)oc3ccccc34)ccc21.
What is the InChIKey of 3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene]?
The InChIKey is YTAOVFKGLZJBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N2OS/c1-6-18-49-41(13-1)42-14-2-7-19-50(42)61(49)51-20-8-10-22-55(51)63(40-28-30-47-46-17-5-12-24-59(46)65-60(47)36-40)56-34-38(25-31-52(56)61)37-26-32-54-48(33-37)43-15-3-9-21-53(43)62(54)39-27-29-45-44-16-4-11-23-57(44)64-58(45)35-39/h1-36H.
What are the key properties of 3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene]?
3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene] has a molecular weight of 845.04 g/mol, XLogP of 16.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 129306364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).