8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene

C58H43N3 — CID 144919690

IUPAC8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.Cn1c2ccc(-c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccccc3)cc2c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C53H35N3.C5H8/c1-54-48-27-22-35(36-24-29-51-45(30-36)44-26-20-34-12-8-9-17-41(34)53(44)56(51)40-15-6-3-7-16-40)31-46(48)47-32-37(23-28-49(47)54)38-21-25-43-42-18-10-11-19-50(42)55(52(43)33-38)39-13-4-2-5-14-39;1-3-5-4-2/h2-33H,1H3;3-5H,1H2,2H3/b;5-4-
InChIKeyHVFDUFNRILVOQB-GUHKXDMSSA-N
MW782.00 g/mol
LogP15.76
Rot. Bonds5

About 8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene

8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene (PubChem CID 144919690) has the molecular formula C58H43N3 and a molecular weight of 782.00 g/mol. Its IUPAC name is 8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Name8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene
PubChem CID144919690
Molecular FormulaC58H43N3
Molecular Weight782.00 g/mol
Exact Mass781.35
IUPAC Name8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.Cn1c2ccc(-c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccccc3)cc2c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C53H35N3.C5H8/c1-54-48-27-22-35(36-24-29-51-45(30-36)44-26-20-34-12-8-9-17-41(34)53(44)56(51)40-15-6-3-7-16-40)31-46(48)47-32-37(23-28-49(47)54)38-21-25-43-42-18-10-11-19-50(42)55(52(43)33-38)39-13-4-2-5-14-39;1-3-5-4-2/h2-33H,1H3;3-5H,1H2,2H3/b;5-4-
InChIKeyHVFDUFNRILVOQB-GUHKXDMSSA-N
XLogP15.76
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.00
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene 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-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene
CID 144919850
2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene
CID 144919650
ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 144919767
11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
CID 130233283
11-phenyl-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159128944
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
8-(9-dibenzofuran-3-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243823
acetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene
CID 157255127
12-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999005
9-[9-(4-fluoranthen-8-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304356
6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene
CID 144919758
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846

Frequently Asked Questions

What is the IUPAC name of 8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene?
The IUPAC name of 8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene (CID 144919690) is 8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene.
What is the SMILES notation for 8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene?
The canonical SMILES for 8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene is C=C/C=C\C.Cn1c2ccc(-c3ccc4c(c3)c3ccc5ccccc5c3n4-c3ccccc3)cc2c2cc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc21.
What is the InChIKey of 8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene?
The InChIKey is HVFDUFNRILVOQB-GUHKXDMSSA-N. The full InChI is InChI=1S/C53H35N3.C5H8/c1-54-48-27-22-35(36-24-29-51-45(30-36)44-26-20-34-12-8-9-17-41(34)53(44)56(51)40-15-6-3-7-16-40)31-46(48)47-32-37(23-28-49(47)54)38-21-25-43-42-18-10-11-19-50(42)55(52(43)33-38)39-13-4-2-5-14-39;1-3-5-4-2/h2-33H,1H3;3-5H,1H2,2H3/b;5-4-.
What are the key properties of 8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene?
8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene has a molecular weight of 782.00 g/mol, XLogP of 15.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[9-methyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;(3Z)-penta-1,3-diene is sourced from PubChem (CID 144919690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).