20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene

C66H42BrN3 — CID 172522364

IUPAC20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
SMILESBrc1cccc(-n2c3ccccc3c3ccccc3c3ccccc3c3ccc(-n4c5ccccc5c5ccccc5c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc32)c1
InChIInChI=1S/C66H42BrN3/c67-43-18-17-19-44(40-43)70-62-33-14-10-29-56(62)51-24-5-1-20-47(51)48-21-3-7-26-53(48)59-38-36-46(42-66(59)70)69-61-32-13-9-28-55(61)52-25-6-2-22-49(52)50-23-4-8-27-54(50)60-41-45(37-39-65(60)69)68-63-34-15-11-30-57(63)58-31-12-16-35-64(58)68/h1-42H
InChIKeyCNAGAKOSEZXWON-UHFFFAOYSA-N
MW956.99 g/mol
LogP18.60
Rot. Bonds3

About 20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene

20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene (PubChem CID 172522364) has the molecular formula C66H42BrN3 and a molecular weight of 956.99 g/mol. Its IUPAC name is 20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene.

Molecular Properties

Compound Name20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
PubChem CID172522364
Molecular FormulaC66H42BrN3
Molecular Weight956.99 g/mol
Exact Mass955.26
IUPAC Name20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
SMILESBrc1cccc(-n2c3ccccc3c3ccccc3c3ccccc3c3ccc(-n4c5ccccc5c5ccccc5c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc32)c1
InChIInChI=1S/C66H42BrN3/c67-43-18-17-19-44(40-43)70-62-33-14-10-29-56(62)51-24-5-1-20-47(51)48-21-3-7-26-53(48)59-38-36-46(42-66(59)70)69-61-32-13-9-28-55(61)52-25-6-2-22-49(52)50-23-4-8-27-54(50)60-41-45(37-39-65(60)69)68-63-34-15-11-30-57(63)58-31-12-16-35-64(58)68/h1-42H
InChIKeyCNAGAKOSEZXWON-UHFFFAOYSA-N
XLogP18.60
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.99
LogP ≤ 518.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-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

2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
2-bromo-9-(9-phenylcarbazol-2-yl)carbazole
CID 167514320
5,11-di(triphenylen-2-yl)indolo[3,2-b]carbazole
CID 166009559
5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole
CID 166009487
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole
CID 170201856
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169

Frequently Asked Questions

What is the IUPAC name of 20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene?
The IUPAC name of 20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene (CID 172522364) is 20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene.
What is the SMILES notation for 20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene?
The canonical SMILES for 20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene is Brc1cccc(-n2c3ccccc3c3ccccc3c3ccccc3c3ccc(-n4c5ccccc5c5ccccc5c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc32)c1.
What is the InChIKey of 20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene?
The InChIKey is CNAGAKOSEZXWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42BrN3/c67-43-18-17-19-44(40-43)70-62-33-14-10-29-56(62)51-24-5-1-20-47(51)48-21-3-7-26-53(48)59-38-36-46(42-66(59)70)69-61-32-13-9-28-55(61)52-25-6-2-22-49(52)50-23-4-8-27-54(50)60-41-45(37-39-65(60)69)68-63-34-15-11-30-57(63)58-31-12-16-35-64(58)68/h1-42H.
What are the key properties of 20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene?
20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene has a molecular weight of 956.99 g/mol, XLogP of 18.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(3-bromophenyl)-17-(16-carbazol-9-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaen-20-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene is sourced from PubChem (CID 172522364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).