5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole

C49H34N4 — CID 138649925

IUPAC5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c34)cc21
InChIInChI=1S/C49H34N4/c1-49(2)39-22-12-9-19-34(39)35-26-25-33(29-40(35)49)52-44-24-14-11-21-38(44)46-45(52)28-27-37-36-20-10-13-23-43(36)53(47(37)46)48-50-41(31-15-5-3-6-16-31)30-42(51-48)32-17-7-4-8-18-32/h3-30H,1-2H3
InChIKeyGFALIYWRMRSOTO-UHFFFAOYSA-N
MW678.84 g/mol
LogP12.31
Rot. Bonds4

About 5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole

5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole (PubChem CID 138649925) has the molecular formula C49H34N4 and a molecular weight of 678.84 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole
PubChem CID138649925
Molecular FormulaC49H34N4
Molecular Weight678.84 g/mol
Exact Mass678.28
IUPAC Name5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c34)cc21
InChIInChI=1S/C49H34N4/c1-49(2)39-22-12-9-19-34(39)35-26-25-33(29-40(35)49)52-44-24-14-11-21-38(44)46-45(52)28-27-37-36-20-10-13-23-43(36)53(47(37)46)48-50-41(31-15-5-3-6-16-31)30-42(51-48)32-17-7-4-8-18-32/h3-30H,1-2H3
InChIKeyGFALIYWRMRSOTO-UHFFFAOYSA-N
XLogP12.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole
CID 121385351
3-[9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole
CID 160991667
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 129312019
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 121385344
9-carbazol-9-yl-12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;10-carbazol-9-yl-12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-(2-phenylphenyl)indolo[3,2-c]carbazole
CID 161451150
5-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole
CID 66805080
12-dibenzoselenophen-3-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
CID 140744291
12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 88887018
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole
CID 122595548
11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenylpyrimidin-4-yl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(9,9-dimethylfluoren-2-yl)-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;methane
CID 158616372

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole?
The IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole (CID 138649925) is 5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c34)cc21.
What is the InChIKey of 5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole?
The InChIKey is GFALIYWRMRSOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4/c1-49(2)39-22-12-9-19-34(39)35-26-25-33(29-40(35)49)52-44-24-14-11-21-38(44)46-45(52)28-27-37-36-20-10-13-23-43(36)53(47(37)46)48-50-41(31-15-5-3-6-16-31)30-42(51-48)32-17-7-4-8-18-32/h3-30H,1-2H3.
What are the key properties of 5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole?
5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole has a molecular weight of 678.84 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 138649925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).