3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole

C52H35N — CID 170015355

IUPAC3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C52H35N/c1-51(2)41-19-8-3-14-34(41)37-28-26-33(31-46(37)51)32-27-29-48-40(30-32)38-17-7-12-24-47(38)53(48)49-25-13-23-45-50(49)39-18-6-11-22-44(39)52(45)42-20-9-4-15-35(42)36-16-5-10-21-43(36)52/h3-31H,1-2H3
InChIKeyFLJBSETVZGDZKZ-UHFFFAOYSA-N
MW673.86 g/mol
LogP13.10
Rot. Bonds2

About 3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole

3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole (PubChem CID 170015355) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
PubChem CID170015355
Molecular FormulaC52H35N
Molecular Weight673.86 g/mol
Exact Mass673.28
IUPAC Name3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C52H35N/c1-51(2)41-19-8-3-14-34(41)37-28-26-33(31-46(37)51)32-27-29-48-40(30-32)38-17-7-12-24-47(38)53(48)49-25-13-23-45-50(49)39-18-6-11-22-44(39)52(45)42-20-9-4-15-35(42)36-16-5-10-21-43(36)52/h3-31H,1-2H3
InChIKeyFLJBSETVZGDZKZ-UHFFFAOYSA-N
XLogP13.10
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
CID 129258967
15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 170015359
CID 118153752
CID 118153752
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
CID 158608032
CID 158608032
9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole
CID 166895501
3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
CID 59236166
9-naphthalen-1-yl-3-[4-[7'-[7'-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236395
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
N-[4-[3-[9-(9,9-diphenylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 118462558
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole?
The IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole (CID 170015355) is 3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole.
What is the SMILES notation for 3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole?
The canonical SMILES for 3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole?
The InChIKey is FLJBSETVZGDZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-51(2)41-19-8-3-14-34(41)37-28-26-33(31-46(37)51)32-27-29-48-40(30-32)38-17-7-12-24-47(38)53(48)49-25-13-23-45-50(49)39-18-6-11-22-44(39)52(45)42-20-9-4-15-35(42)36-16-5-10-21-43(36)52/h3-31H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole?
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole has a molecular weight of 673.86 g/mol, XLogP of 13.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole is sourced from PubChem (CID 170015355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).