9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran

C27H19ClO — CID 138569742

IUPAC9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran
SMILESCC1(C)c2cc(Cl)ccc2-c2c1cc(-c1ccccc1)c1c2oc2ccccc21
InChIInChI=1S/C27H19ClO/c1-27(2)21-14-17(28)12-13-18(21)25-22(27)15-20(16-8-4-3-5-9-16)24-19-10-6-7-11-23(19)29-26(24)25/h3-15H,1-2H3
InChIKeyFCWMUTXWDKMLGO-UHFFFAOYSA-N
MW394.90 g/mol
LogP8.21
Rot. Bonds1

About 9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran

9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran (PubChem CID 138569742) has the molecular formula C27H19ClO and a molecular weight of 394.90 g/mol. Its IUPAC name is 9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran.

Molecular Properties

Compound Name9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran
PubChem CID138569742
Molecular FormulaC27H19ClO
Molecular Weight394.90 g/mol
Exact Mass394.11
IUPAC Name9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran
SMILESCC1(C)c2cc(Cl)ccc2-c2c1cc(-c1ccccc1)c1c2oc2ccccc21
InChIInChI=1S/C27H19ClO/c1-27(2)21-14-17(28)12-13-18(21)25-22(27)15-20(16-8-4-3-5-9-16)24-19-10-6-7-11-23(19)29-26(24)25/h3-15H,1-2H3
InChIKeyFCWMUTXWDKMLGO-UHFFFAOYSA-N
XLogP8.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(7,7-dimethyl-5-phenylfluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 155088779
9-chloro-5-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 155088849
17,17,34,34-tetramethyl-14,31-bis(4-naphthalen-1-ylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 142357653
6,31-bis(3,5-diphenylphenyl)-3,3,34,34-tetramethyl-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene
CID 134557166
22-chloro-12-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaene
CID 146436897
3,3,34,34-tetramethyl-6,31-diphenyl-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene
CID 134556813
17,17,34,34-tetramethyl-14-N,31-N-diphenyl-14-N,31-N-bis(2-phenylphenyl)-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4,7,9,11,13,15,18,21,24,26,28,30,32-pentadecaene-14,31-diamine
CID 134561249
N-[14,14-dimethyl-11-(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-14,14-dimethyl-N,11-bis(4-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 138569745
N-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-N-(2,6-diphenylphenyl)-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164801669
11-dibenzofuran-1-yl-N-(11-dibenzofuran-1-yl-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-14,14-dimethyl-N-(2-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 142560117
7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran
CID 122415730
2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-5-yl)-4-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 176587218

Frequently Asked Questions

What is the IUPAC name of 9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran?
The IUPAC name of 9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran (CID 138569742) is 9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran.
What is the SMILES notation for 9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran?
The canonical SMILES for 9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran is CC1(C)c2cc(Cl)ccc2-c2c1cc(-c1ccccc1)c1c2oc2ccccc21.
What is the InChIKey of 9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran?
The InChIKey is FCWMUTXWDKMLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClO/c1-27(2)21-14-17(28)12-13-18(21)25-22(27)15-20(16-8-4-3-5-9-16)24-19-10-6-7-11-23(19)29-26(24)25/h3-15H,1-2H3.
What are the key properties of 9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran?
9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran has a molecular weight of 394.90 g/mol, XLogP of 8.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran is sourced from PubChem (CID 138569742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).