6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene

C27H18ClN — CID 167224979

IUPAC6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
SMILESCC1(C)c2ccc(Cl)c3c2-c2c1ccc1c4ccccc4n(c21)-c1ccccc1-3
InChIInChI=1S/C27H18ClN/c1-27(2)18-13-14-20(28)23-17-8-4-6-10-22(17)29-21-9-5-3-7-15(21)16-11-12-19(27)25(24(18)23)26(16)29/h3-14H,1-2H3
InChIKeyJSHSOIAGJACXME-UHFFFAOYSA-N
MW391.90 g/mol
LogP7.72
Rot. Bonds

About 6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene

6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 167224979) has the molecular formula C27H18ClN and a molecular weight of 391.90 g/mol. Its IUPAC name is 6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
PubChem CID167224979
Molecular FormulaC27H18ClN
Molecular Weight391.90 g/mol
Exact Mass391.11
IUPAC Name6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
SMILESCC1(C)c2ccc(Cl)c3c2-c2c1ccc1c4ccccc4n(c21)-c1ccccc1-3
InChIInChI=1S/C27H18ClN/c1-27(2)18-13-14-20(28)23-17-8-4-6-10-22(17)29-21-9-5-3-7-15(21)16-11-12-19(27)25(24(18)23)26(16)29/h3-14H,1-2H3
InChIKeyJSHSOIAGJACXME-UHFFFAOYSA-N
XLogP7.72
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170
8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole
CID 169023385
13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402
2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166572299
12-(7-chloronaphthalen-2-yl)-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 167224928
26,26-dimethyl-17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 169023423
6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 169058230
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
6-(1-methyl-17-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-13-yl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,9'-fluorene]
CID 170117443
7,7-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenylindeno[1,2-a]carbazole
CID 145080031
4-dibenzothiophen-4-yl-15,15-dimethyl-19,26-dithia-4-azaheptacyclo[14.12.0.02,14.03,11.05,10.018,27.020,25]octacosa-1(28),2(14),3(11),5,7,9,12,16,18(27),20,22,24-dodecaene
CID 134175581
4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 167225079

Frequently Asked Questions

What is the IUPAC name of 6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?
The IUPAC name of 6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene (CID 167224979) is 6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene is CC1(C)c2ccc(Cl)c3c2-c2c1ccc1c4ccccc4n(c21)-c1ccccc1-3.
What is the InChIKey of 6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?
The InChIKey is JSHSOIAGJACXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN/c1-27(2)18-13-14-20(28)23-17-8-4-6-10-22(17)29-21-9-5-3-7-15(21)16-11-12-19(27)25(24(18)23)26(16)29/h3-14H,1-2H3.
What are the key properties of 6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene?
6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 391.90 g/mol, XLogP of 7.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 167224979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).