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

C160H97N3OS — CID 158488160

IUPAC9-(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
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc4sc5ccccc5c4c3)ccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C49H30N2.C37H23N.C37H22O.C37H22S/c1-7-19-41-33(13-1)34-14-2-8-20-42(34)49(41)43-27-25-31(50-45-21-9-3-15-35(45)36-16-4-10-22-46(36)50)29-39(43)40-30-32(26-28-44(40)49)51-47-23-11-5-17-37(47)38-18-6-12-24-48(38)51;1-6-16-31-25(11-1)26-12-2-7-17-32(26)37(31)33-18-8-3-13-27(33)30-23-24(21-22-34(30)37)38-35-19-9-4-14-28(35)29-15-5-10-20-36(29)38;2*1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)33-15-7-3-11-27(33)29-21-23(17-19-34(29)37)24-18-20-36-30(22-24)28-12-4-8-16-35(28)38-36/h1-30H;1-23H;2*1-22H
InChIKeyHIIZSZYMRBCLIT-UHFFFAOYSA-N
MW2109.62 g/mol
LogP41.01
Rot. Bonds5

About 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

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 (PubChem CID 158488160) has the molecular formula C160H97N3OS and a molecular weight of 2109.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID158488160
Molecular FormulaC160H97N3OS
Molecular Weight2109.62 g/mol
Exact Mass2107.74
IUPAC Name9-(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
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc4sc5ccccc5c4c3)ccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C49H30N2.C37H23N.C37H22O.C37H22S/c1-7-19-41-33(13-1)34-14-2-8-20-42(34)49(41)43-27-25-31(50-45-21-9-3-15-35(45)36-16-4-10-22-46(36)50)29-39(43)40-30-32(26-28-44(40)49)51-47-23-11-5-17-37(47)38-18-6-12-24-48(38)51;1-6-16-31-25(11-1)26-12-2-7-17-32(26)37(31)33-18-8-3-13-27(33)30-23-24(21-22-34(30)37)38-35-19-9-4-14-28(35)29-15-5-10-20-36(29)38;2*1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)33-15-7-3-11-27(33)29-21-23(17-19-34(29)37)24-18-20-36-30(22-24)28-12-4-8-16-35(28)38-36/h1-30H;1-23H;2*1-22H
InChIKeyHIIZSZYMRBCLIT-UHFFFAOYSA-N
XLogP41.01
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002109.62
LogP ≤ 541.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 159392904
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
3-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-[4-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159640666
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 162097761
9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole
CID 171736760
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole;9-(8-phenyldibenzothiophen-2-yl)-3-[9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
CID 161271655
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
3-(9-dibenzofuran-3-ylcarbazol-3-yl)-10-dibenzothiophen-3-ylspiro[acridine-9,9'-fluorene]
CID 129306364
2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran
CID 162164697
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-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
CID 155305717
3-(3-dibenzofuran-2-ylphenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole
CID 137466613

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)-c1ccccc1C21c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc4sc5ccccc5c4c3)ccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 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?
The InChIKey is HIIZSZYMRBCLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2.C37H23N.C37H22O.C37H22S/c1-7-19-41-33(13-1)34-14-2-8-20-42(34)49(41)43-27-25-31(50-45-21-9-3-15-35(45)36-16-4-10-22-46(36)50)29-39(43)40-30-32(26-28-44(40)49)51-47-23-11-5-17-37(47)38-18-6-12-24-48(38)51;1-6-16-31-25(11-1)26-12-2-7-17-32(26)37(31)33-18-8-3-13-27(33)30-23-24(21-22-34(30)37)38-35-19-9-4-14-28(35)29-15-5-10-20-36(29)38;2*1-5-13-31-25(9-1)26-10-2-6-14-32(26)37(31)33-15-7-3-11-27(33)29-21-23(17-19-34(29)37)24-18-20-36-30(22-24)28-12-4-8-16-35(28)38-36/h1-30H;1-23H;2*1-22H.
What are the key properties of 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?
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 has a molecular weight of 2109.62 g/mol, XLogP of 41.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158488160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).