9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene

C48H34N4 — CID 154646478

IUPAC9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(C5CCc6c(nc7n(-c8ccccc8)c8ccccc8n67)-c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C48H34N4/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)50-42-20-10-9-18-39(42)41-31-34(25-29-43(41)50)37-28-30-46-47(40-19-8-7-17-38(37)40)49-48-51(35-15-5-2-6-16-35)44-21-11-12-22-45(44)52(46)48/h1-27,29,31,37H,28,30H2
InChIKeyQATJQYQBFLODDC-UHFFFAOYSA-N
MW666.83 g/mol
LogP11.79
Rot. Bonds4

About 9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene

9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene (PubChem CID 154646478) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene.

Molecular Properties

Compound Name9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene
PubChem CID154646478
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(C5CCc6c(nc7n(-c8ccccc8)c8ccccc8n67)-c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C48H34N4/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)50-42-20-10-9-18-39(42)41-31-34(25-29-43(41)50)37-28-30-46-47(40-19-8-7-17-38(37)40)49-48-51(35-15-5-2-6-16-35)44-21-11-12-22-45(44)52(46)48/h1-27,29,31,37H,28,30H2
InChIKeyQATJQYQBFLODDC-UHFFFAOYSA-N
XLogP11.79
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene 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

9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-19-phenyl-2,9,11-triazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3,5,7,10,13,15,17-octaene
CID 155006011
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
9-[4-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)phenyl]-3-triphenylen-2-ylcarbazole
CID 131969711
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenyl-7H-indeno[2,1-b]carbazole
CID 126753657
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene?
The IUPAC name of 9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene (CID 154646478) is 9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene.
What is the SMILES notation for 9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene?
The canonical SMILES for 9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene is c1ccc(-c2ccc(-n3c4ccccc4c4cc(C5CCc6c(nc7n(-c8ccccc8)c8ccccc8n67)-c6ccccc65)ccc43)cc2)cc1.
What is the InChIKey of 9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene?
The InChIKey is QATJQYQBFLODDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)50-42-20-10-9-18-39(42)41-31-34(25-29-43(41)50)37-28-30-46-47(40-19-8-7-17-38(37)40)49-48-51(35-15-5-2-6-16-35)44-21-11-12-22-45(44)52(46)48/h1-27,29,31,37H,28,30H2.
What are the key properties of 9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene?
9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene has a molecular weight of 666.83 g/mol, XLogP of 11.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-19-[9-(4-phenylphenyl)carbazol-3-yl]-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaene is sourced from PubChem (CID 154646478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).