12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole

C42H33N — CID 118502376

IUPAC12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)-c4ccccc4C6(C)C)cc3)ccc21
InChIInChI=1S/C42H33N/c1-41(2)34-14-8-5-11-29(34)33-25-27(19-23-36(33)41)26-17-20-28(21-18-26)43-38-16-10-7-12-30(38)31-22-24-37-39(40(31)43)32-13-6-9-15-35(32)42(37,3)4/h5-25H,1-4H3
InChIKeyLYUXYQIHABDIBA-UHFFFAOYSA-N
MW551.73 g/mol
LogP11.06
Rot. Bonds2

About 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole

12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole (PubChem CID 118502376) has the molecular formula C42H33N and a molecular weight of 551.73 g/mol. Its IUPAC name is 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole.

Molecular Properties

Compound Name12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
PubChem CID118502376
Molecular FormulaC42H33N
Molecular Weight551.73 g/mol
Exact Mass551.26
IUPAC Name12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)-c4ccccc4C6(C)C)cc3)ccc21
InChIInChI=1S/C42H33N/c1-41(2)34-14-8-5-11-29(34)33-25-27(19-23-36(33)41)26-17-20-28(21-18-26)43-38-16-10-7-12-30(38)31-22-24-37-39(40(31)43)32-13-6-9-15-35(32)42(37,3)4/h5-25H,1-4H3
InChIKeyLYUXYQIHABDIBA-UHFFFAOYSA-N
XLogP11.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.73
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
CID 145080031
1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole
CID 159237487
12-dibenzofuran-3-yl-7,7-dimethylindeno[1,2-a]carbazole
CID 118502345
12-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 121343632
3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
CID 122464854
12-[4-[2,6-bis[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630670
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630713
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 118449201
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444

Frequently Asked Questions

What is the IUPAC name of 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
The IUPAC name of 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole (CID 118502376) is 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole.
What is the SMILES notation for 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
The canonical SMILES for 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c(c54)-c4ccccc4C6(C)C)cc3)ccc21.
What is the InChIKey of 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
The InChIKey is LYUXYQIHABDIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N/c1-41(2)34-14-8-5-11-29(34)33-25-27(19-23-36(33)41)26-17-20-28(21-18-26)43-38-16-10-7-12-30(38)31-22-24-37-39(40(31)43)32-13-6-9-15-35(32)42(37,3)4/h5-25H,1-4H3.
What are the key properties of 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole has a molecular weight of 551.73 g/mol, XLogP of 11.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole is sourced from PubChem (CID 118502376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).