6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene

C38H38Br2N2 — CID 71488227

IUPAC6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene
SMILESCCCCCCn1c2ccc(Br)cc2c2cc3ccc4ccc5c(c6cc(Br)ccc6n5CCCCCC)c4c3cc21
InChIInChI=1S/C38H38Br2N2/c1-3-5-7-9-19-41-34-18-15-28(40)23-32(34)38-35(41)16-13-25-11-12-26-21-30-31-22-27(39)14-17-33(31)42(20-10-8-6-4-2)36(30)24-29(26)37(25)38/h11-18,21-24H,3-10,19-20H2,1-2H3
InChIKeyNUOFNNDBBXVWGZ-UHFFFAOYSA-N
MW682.54 g/mol
LogP12.89
Rot. Bonds10

About 6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene

6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene (PubChem CID 71488227) has the molecular formula C38H38Br2N2 and a molecular weight of 682.54 g/mol. Its IUPAC name is 6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene.

Molecular Properties

Compound Name6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene
PubChem CID71488227
Molecular FormulaC38H38Br2N2
Molecular Weight682.54 g/mol
Exact Mass680.14
IUPAC Name6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene
SMILESCCCCCCn1c2ccc(Br)cc2c2cc3ccc4ccc5c(c6cc(Br)ccc6n5CCCCCC)c4c3cc21
InChIInChI=1S/C38H38Br2N2/c1-3-5-7-9-19-41-34-18-15-28(40)23-32(34)38-35(41)16-13-25-11-12-26-21-30-31-22-27(39)14-17-33(31)42(20-10-8-6-4-2)36(30)24-29(26)37(25)38/h11-18,21-24H,3-10,19-20H2,1-2H3
InChIKeyNUOFNNDBBXVWGZ-UHFFFAOYSA-N
XLogP12.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.54
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene 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

Utenpanium Chloride
CID 71526745
3-Bromo-6,9-diphenylcarbazole
CID 57746295
3-Bromo-9-(2-naphthyl)carbazole
CID 68358431
1,4-Bis[2-(9-ethylcarbazol-3-yl)vinyl]benzene
CID 14366510
1,3,5-Tris(2-(9-ethylcabazyl-3)ethylene)benzene
CID 16218121
3,6-Dibromo-9-(2-naphthalenyl)-9H-carbazole
CID 58384088
10-Bromo-7-phenyl-7H-benzo[c]carbazole
CID 58410602
3-Bromo-9-(1-naphthyl)-9H-carbazole
CID 59561149
3,6-Dibromo-9-(triphenylen-2-yl)carbazole
CID 89492331
3,6-Dibromo-9-(3,5-dimethylphenyl)-9H-carbazole
CID 129319319
3,6-Dibromo-9-(3,4-dimethylphenyl)-9H-carbazole
CID 129319320
6,6'-Dibromo-9,9'-diphenyl-3,3'-bicarbazole
CID 131852839

Frequently Asked Questions

What is the IUPAC name of 6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene?
The IUPAC name of 6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene (CID 71488227) is 6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene.
What is the SMILES notation for 6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene?
The canonical SMILES for 6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene is CCCCCCn1c2ccc(Br)cc2c2cc3ccc4ccc5c(c6cc(Br)ccc6n5CCCCCC)c4c3cc21.
What is the InChIKey of 6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene?
The InChIKey is NUOFNNDBBXVWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38Br2N2/c1-3-5-7-9-19-41-34-18-15-28(40)23-32(34)38-35(41)16-13-25-11-12-26-21-30-31-22-27(39)14-17-33(31)42(20-10-8-6-4-2)36(30)24-29(26)37(25)38/h11-18,21-24H,3-10,19-20H2,1-2H3.
What are the key properties of 6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene?
6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene has a molecular weight of 682.54 g/mol, XLogP of 12.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,22-dibromo-10,26-dihexyl-10,26-diazaheptacyclo[15.11.0.02,14.03,11.04,9.019,27.020,25]octacosa-1(28),2(14),3(11),4(9),5,7,12,15,17,19(27),20(25),21,23-tridecaene is sourced from PubChem (CID 71488227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).