5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole

C41H32N2 — CID 118502384

IUPAC5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)nc3)ccc21
InChIInChI=1S/C41H32N2/c1-40(2)33-14-8-5-11-27(33)30-21-25(17-19-35(30)40)26-18-20-39(42-24-26)43-37-16-10-7-13-29(37)32-22-31-28-12-6-9-15-34(28)41(3,4)36(31)23-38(32)43/h5-24H,1-4H3
InChIKeyFRYRBAQIKUPMEX-UHFFFAOYSA-N
MW552.72 g/mol
LogP10.46
Rot. Bonds2

About 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole

5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 118502384) has the molecular formula C41H32N2 and a molecular weight of 552.72 g/mol. Its IUPAC name is 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID118502384
Molecular FormulaC41H32N2
Molecular Weight552.72 g/mol
Exact Mass552.26
IUPAC Name5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)nc3)ccc21
InChIInChI=1S/C41H32N2/c1-40(2)33-14-8-5-11-27(33)30-21-25(17-19-35(30)40)26-18-20-39(42-24-26)43-37-16-10-7-13-29(37)32-22-31-28-12-6-9-15-34(28)41(3,4)36(31)23-38(32)43/h5-24H,1-4H3
InChIKeyFRYRBAQIKUPMEX-UHFFFAOYSA-N
XLogP10.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-[1]benzothiolo[2,3-b]carbazole
CID 118503125
5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-6,6-dimethylindeno[2,1-b]indole
CID 121298607
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
9-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-3-pyridinyl]-3-(9,9-dimethylfluoren-3-yl)carbazole
CID 126632452
7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
CID 130209425
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
CID 122527897
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
7,7-dimethyl-5-pyridin-4-ylindeno[2,1-b]carbazole
CID 66805075

Frequently Asked Questions

What is the IUPAC name of 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole (CID 118502384) is 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)nc3)ccc21.
What is the InChIKey of 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is FRYRBAQIKUPMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2/c1-40(2)33-14-8-5-11-27(33)30-21-25(17-19-35(30)40)26-18-20-39(42-24-26)43-37-16-10-7-13-29(37)32-22-31-28-12-6-9-15-34(28)41(3,4)36(31)23-38(32)43/h5-24H,1-4H3.
What are the key properties of 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 552.72 g/mol, XLogP of 10.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(9,9-dimethylfluoren-3-yl)-2-pyridinyl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 118502384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).