5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole

C36H28ClN — CID 176626786

IUPAC5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(Cl)cc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C36H28ClN/c1-35(2)28-14-8-5-11-22(28)25-20-32-26(19-30(25)35)24-13-7-10-16-31(24)38(32)33-18-21(37)17-27-23-12-6-9-15-29(23)36(3,4)34(27)33/h5-20H,1-4H3
InChIKeyVRDNXXZZQLQUET-UHFFFAOYSA-N
MW510.08 g/mol
LogP10.05
Rot. Bonds1

About 5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole

5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 176626786) has the molecular formula C36H28ClN and a molecular weight of 510.08 g/mol. Its IUPAC name is 5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID176626786
Molecular FormulaC36H28ClN
Molecular Weight510.08 g/mol
Exact Mass509.19
IUPAC Name5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(Cl)cc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C36H28ClN/c1-35(2)28-14-8-5-11-22(28)25-20-32-26(19-30(25)35)24-13-7-10-16-31(24)38(32)33-18-21(37)17-27-23-12-6-9-15-29(23)36(3,4)34(27)33/h5-20H,1-4H3
InChIKeyVRDNXXZZQLQUET-UHFFFAOYSA-N
XLogP10.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.08
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
11,11-dimethyl-5-phenanthren-9-ylindeno[1,2-b]carbazole
CID 118488779
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole
CID 86664282
4-carbazol-9-yl-3-[5-cyano-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 129300013
11,11-dimethyl-5-(9-naphthalen-2-ylcarbazol-4-yl)indeno[1,2-b]carbazole
CID 118502163
15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 170015359
CID 134551753
CID 134551753
2-carbazol-9-yl-5-(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-dodecaen-15-yl)benzene-1,4-dicarbonitrile
CID 121328841
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
11,11,23,23-tetramethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15(33),16,18,20,22(30),24,26,28,31-pentadecaene
CID 146376476

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole (CID 176626786) is 5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(Cl)cc2c1C(C)(C)c1ccccc1-2.
What is the InChIKey of 5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is VRDNXXZZQLQUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28ClN/c1-35(2)28-14-8-5-11-22(28)25-20-32-26(19-30(25)35)24-13-7-10-16-31(24)38(32)33-18-21(37)17-27-23-12-6-9-15-29(23)36(3,4)34(27)33/h5-20H,1-4H3.
What are the key properties of 5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole?
5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 510.08 g/mol, XLogP of 10.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-9,9-dimethylfluoren-1-yl)-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 176626786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).