5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene

C24H12Cl3N3 — CID 177401984

IUPAC5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
SMILESClc1ccc2[nH]c3c(c2c1)c1[nH]c2ccc(Cl)cc2c1c1[nH]c2ccc(Cl)cc2c31
InChIInChI=1S/C24H12Cl3N3/c25-10-1-4-16-13(7-10)19-22(28-16)20-14-8-11(26)2-5-17(14)30-24(20)21-15-9-12(27)3-6-18(15)29-23(19)21/h1-9,28-30H
InChIKeyKFKGWWVUJATRTQ-UHFFFAOYSA-N
MW448.74 g/mol
LogP8.55
Rot. Bonds

About 5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene

5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene (PubChem CID 177401984) has the molecular formula C24H12Cl3N3 and a molecular weight of 448.74 g/mol. Its IUPAC name is 5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene.

Molecular Properties

Compound Name5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
PubChem CID177401984
Molecular FormulaC24H12Cl3N3
Molecular Weight448.74 g/mol
Exact Mass447.01
IUPAC Name5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
SMILESClc1ccc2[nH]c3c(c2c1)c1[nH]c2ccc(Cl)cc2c1c1[nH]c2ccc(Cl)cc2c31
InChIInChI=1S/C24H12Cl3N3/c25-10-1-4-16-13(7-10)19-22(28-16)20-14-8-11(26)2-5-17(14)30-24(20)21-15-9-12(27)3-6-18(15)29-23(19)21/h1-9,28-30H
InChIKeyKFKGWWVUJATRTQ-UHFFFAOYSA-N
XLogP8.55
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.74
LogP ≤ 58.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Analyze 5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-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

5-bromo-3-chloro-9H-carbazole
CID 156561509
4,10-dichloro-17-(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),9,11,15,17,19-decaen-5-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15(20),16,18-decaene
CID 135234567
2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione
CID 14178328
3-chloro-8-methoxy-11,12-dihydroindolo[2,3-a]carbazole
CID 10758096
3,6-dichloro-1-(3,6-dichlorocarbazol-9-yl)-9H-carbazole
CID 122387908
2-tert-butyl-5-chloro-1H-indole-3-thiol
CID 15122877
(6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone
CID 71699443
16-chloro-5-nitro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 14146970
3-chloro-5,7-dihydroindolo[2,3-c]quinolin-6-one
CID 71560083
9-chloro-4-ethoxy-5,11-dimethyl-6H-pyrido[3,2-b]carbazole
CID 11723800
9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole
CID 118442132
6-chloro-1-oxo-9H-thiopyrano[3,4-b]indole-3-carboxylic acid
CID 163409236

Frequently Asked Questions

What is the IUPAC name of 5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene?
The IUPAC name of 5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene (CID 177401984) is 5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene.
What is the SMILES notation for 5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene?
The canonical SMILES for 5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene is Clc1ccc2[nH]c3c(c2c1)c1[nH]c2ccc(Cl)cc2c1c1[nH]c2ccc(Cl)cc2c31.
What is the InChIKey of 5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene?
The InChIKey is KFKGWWVUJATRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Cl3N3/c25-10-1-4-16-13(7-10)19-22(28-16)20-14-8-11(26)2-5-17(14)30-24(20)21-15-9-12(27)3-6-18(15)29-23(19)21/h1-9,28-30H.
What are the key properties of 5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene?
5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene has a molecular weight of 448.74 g/mol, XLogP of 8.55, 0 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene is sourced from PubChem (CID 177401984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).