3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole

C48H36N2 — CID 147990187

IUPAC3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4[nH]c5c(ccc6c7cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc7[nH]c65)c4c3)cc21
InChIInChI=1S/C48H36N2/c1-47(2)39-11-7-5-9-31(39)33-17-13-29(25-41(33)47)27-15-21-43-37(23-27)35-19-20-36-38-24-28(16-22-44(38)50-46(36)45(35)49-43)30-14-18-34-32-10-6-8-12-40(32)48(3,4)42(34)26-30/h5-26,49-50H,1-4H3
InChIKeyIUXNCIIIOAOUFR-UHFFFAOYSA-N
MW640.83 g/mol
LogP12.90
Rot. Bonds2

About 3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole

3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole (PubChem CID 147990187) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole
PubChem CID147990187
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4[nH]c5c(ccc6c7cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc7[nH]c65)c4c3)cc21
InChIInChI=1S/C48H36N2/c1-47(2)39-11-7-5-9-31(39)33-17-13-29(25-41(33)47)27-15-21-43-37(23-27)35-19-20-36-38-24-28(16-22-44(38)50-46(36)45(35)49-43)30-14-18-34-32-10-6-8-12-40(32)48(3,4)42(34)26-30/h5-26,49-50H,1-4H3
InChIKeyIUXNCIIIOAOUFR-UHFFFAOYSA-N
XLogP12.90
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 512.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-9H-carbazole
CID 126651978
9,9-dimethyl-N-[4-(6-phenyl-9H-carbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155383152
N-[4-(9H-carbazol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59306861
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
CID 143619792
CID 143619792
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
10,10-dimethyl-8-phenyl-5H-indeno[1,2-b]indole
CID 144827773

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole (CID 147990187) is 3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4[nH]c5c(ccc6c7cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)ccc7[nH]c65)c4c3)cc21.
What is the InChIKey of 3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole?
The InChIKey is IUXNCIIIOAOUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-47(2)39-11-7-5-9-31(39)33-17-13-29(25-41(33)47)27-15-21-43-37(23-27)35-19-20-36-38-24-28(16-22-44(38)50-46(36)45(35)49-43)30-14-18-34-32-10-6-8-12-40(32)48(3,4)42(34)26-30/h5-26,49-50H,1-4H3.
What are the key properties of 3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole?
3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole has a molecular weight of 640.83 g/mol, XLogP of 12.90, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 147990187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).