2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole

C21H16ClN — CID 141461619

IUPAC2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)[nH]c1ccc(Cl)cc13
InChIInChI=1S/C21H16ClN/c1-21(2)17-6-4-3-5-13(17)14-10-16-15-9-12(22)7-8-19(15)23-20(16)11-18(14)21/h3-11,23H,1-2H3
InChIKeyCMIJMEIXJWKMFB-UHFFFAOYSA-N
MW317.82 g/mol
LogP6.28
Rot. Bonds

About 2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole

2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole (PubChem CID 141461619) has the molecular formula C21H16ClN and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole
PubChem CID141461619
Molecular FormulaC21H16ClN
Molecular Weight317.82 g/mol
Exact Mass317.10
IUPAC Name2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)[nH]c1ccc(Cl)cc13
InChIInChI=1S/C21H16ClN/c1-21(2)17-6-4-3-5-13(17)14-10-16-15-9-12(22)7-8-19(15)23-20(16)11-18(14)21/h3-11,23H,1-2H3
InChIKeyCMIJMEIXJWKMFB-UHFFFAOYSA-N
XLogP6.28
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.82
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 66805182
3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole
CID 147990187
2-(9,9-dimethylfluoren-2-yl)-9H-carbazole
CID 126651978
spiro[5H-indeno[2,1-b]carbazole-7,9'-fluorene]
CID 66804950
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 137385762
N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine
CID 126702771
9,11,11-trimethyl-5H-indeno[1,2-b]carbazole
CID 139479961
9,9-dimethyl-N-[4-(6-phenyl-9H-carbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155383152
3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole
CID 156904639
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene
CID 144803546

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole?
The IUPAC name of 2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole (CID 141461619) is 2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole.
What is the SMILES notation for 2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole?
The canonical SMILES for 2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)[nH]c1ccc(Cl)cc13.
What is the InChIKey of 2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole?
The InChIKey is CMIJMEIXJWKMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN/c1-21(2)17-6-4-3-5-13(17)14-10-16-15-9-12(22)7-8-19(15)23-20(16)11-18(14)21/h3-11,23H,1-2H3.
What are the key properties of 2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole?
2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole has a molecular weight of 317.82 g/mol, XLogP of 6.28, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole is sourced from PubChem (CID 141461619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).