2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine

C23H19ClN2S — CID 134298815

IUPAC2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine
SMILESCc1sc2c([nH]c(Cl)nc1-c1ccc3c(c1)-c1ccccc1C3)C=CCC2
InChIInChI=1S/C23H19ClN2S/c1-14-22(26-23(24)25-20-8-4-5-9-21(20)27-14)17-11-10-16-12-15-6-2-3-7-18(15)19(16)13-17/h2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,25,26)/b22-14-
InChIKeyMPTNSMJWWQGILP-HMAPJEAMSA-N
MW390.94 g/mol
LogP6.76
Rot. Bonds1

About 2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine

2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine (PubChem CID 134298815) has the molecular formula C23H19ClN2S and a molecular weight of 390.94 g/mol. Its IUPAC name is 2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine.

Molecular Properties

Compound Name2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine
PubChem CID134298815
Molecular FormulaC23H19ClN2S
Molecular Weight390.94 g/mol
Exact Mass390.10
IUPAC Name2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine
SMILESCc1sc2c([nH]c(Cl)nc1-c1ccc3c(c1)-c1ccccc1C3)C=CCC2
InChIInChI=1S/C23H19ClN2S/c1-14-22(26-23(24)25-20-8-4-5-9-21(20)27-14)17-11-10-16-12-15-6-2-3-7-18(15)19(16)13-17/h2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,25,26)/b22-14-
InChIKeyMPTNSMJWWQGILP-HMAPJEAMSA-N
XLogP6.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.94
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine with MolForge

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Related Compounds

3-(6-methylnaphthalen-2-yl)-9H-fluorene
CID 123870070
2-(9H-fluoren-3-yl)-1H-benzimidazole
CID 91679712
3,4,7,12-tetrahydroindeno[1,2-a]carbazole
CID 139565856
2-[4-(8,9-dihydro-7H-fluoren-2-yl)phenyl]-3-[4-(9H-fluoren-2-yl)phenyl]quinoxaline
CID 71106281
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene
CID 159708526
2-(6,7-dihydrodibenzothiophen-3-yl)-4-(9H-fluoren-1-yl)-6-[3-methyl-2-(2-methylphenyl)phenyl]-1,3,5-triazine
CID 170134390
4-[2-(2-chlorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole
CID 51038149
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 8878238
4-(9H-fluoren-3-yl)-6-(4-phenylphenyl)dibenzothiophene
CID 157122579
1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene
CID 144802928
9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene
CID 173160450

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine?
The IUPAC name of 2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine (CID 134298815) is 2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine.
What is the SMILES notation for 2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine?
The canonical SMILES for 2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine is Cc1sc2c([nH]c(Cl)nc1-c1ccc3c(c1)-c1ccccc1C3)C=CCC2.
What is the InChIKey of 2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine?
The InChIKey is MPTNSMJWWQGILP-HMAPJEAMSA-N. The full InChI is InChI=1S/C23H19ClN2S/c1-14-22(26-23(24)25-20-8-4-5-9-21(20)27-14)17-11-10-16-12-15-6-2-3-7-18(15)19(16)13-17/h2-4,6-8,10-11,13H,5,9,12H2,1H3,(H,25,26)/b22-14-.
What are the key properties of 2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine?
2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine has a molecular weight of 390.94 g/mol, XLogP of 6.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(9H-fluoren-3-yl)-5-methyl-7,8-dihydro-1H-6,1,3-benzothiadiazocine is sourced from PubChem (CID 134298815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).