9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole

C66H42N2 — CID 155333113

IUPAC9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
SMILESc1ccc(-c2cccc3cc(-c4c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5cc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc45)ccc23)cc1
InChIInChI=1S/C66H42N2/c1-4-19-43(20-5-1)48-28-14-21-44-41-45(39-40-49(44)48)64-54-31-15-29-50(52-33-17-37-62-65(52)56-26-10-12-35-60(56)67(62)46-22-6-2-7-23-46)58(54)42-59-51(30-16-32-55(59)64)53-34-18-38-63-66(53)57-27-11-13-36-61(57)68(63)47-24-8-3-9-25-47/h1-42H
InChIKeyVDLFNILFHUJCRI-UHFFFAOYSA-N
MW863.08 g/mol
LogP18.01
Rot. Bonds6

About 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole

9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole (PubChem CID 155333113) has the molecular formula C66H42N2 and a molecular weight of 863.08 g/mol. Its IUPAC name is 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
PubChem CID155333113
Molecular FormulaC66H42N2
Molecular Weight863.08 g/mol
Exact Mass862.33
IUPAC Name9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
SMILESc1ccc(-c2cccc3cc(-c4c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5cc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc45)ccc23)cc1
InChIInChI=1S/C66H42N2/c1-4-19-43(20-5-1)48-28-14-21-44-41-45(39-40-49(44)48)64-54-31-15-29-50(52-33-17-37-62-65(52)56-26-10-12-35-60(56)67(62)46-22-6-2-7-23-46)58(54)42-59-51(30-16-32-55(59)64)53-34-18-38-63-66(53)57-27-11-13-36-61(57)68(63)47-24-8-3-9-25-47/h1-42H
InChIKeyVDLFNILFHUJCRI-UHFFFAOYSA-N
XLogP18.01
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.08
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole 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-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(3-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333252
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole
CID 155333886
9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155334848
4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155334200
9-phenyl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]carbazole
CID 134391811
9-phenyl-1-[8-(9-phenylcarbazol-1-yl)-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333072
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
9-phenyl-3-[4-(10-phenylanthracen-1-yl)phenyl]carbazole
CID 141374936
5-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 147372966
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine
CID 169010481

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?
The IUPAC name of 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole (CID 155333113) is 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole.
What is the SMILES notation for 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?
The canonical SMILES for 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole is c1ccc(-c2cccc3cc(-c4c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5cc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc45)ccc23)cc1.
What is the InChIKey of 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?
The InChIKey is VDLFNILFHUJCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2/c1-4-19-43(20-5-1)48-28-14-21-44-41-45(39-40-49(44)48)64-54-31-15-29-50(52-33-17-37-62-65(52)56-26-10-12-35-60(56)67(62)46-22-6-2-7-23-46)58(54)42-59-51(30-16-32-55(59)64)53-34-18-38-63-66(53)57-27-11-13-36-61(57)68(63)47-24-8-3-9-25-47/h1-42H.
What are the key properties of 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole?
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole has a molecular weight of 863.08 g/mol, XLogP of 18.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole is sourced from PubChem (CID 155333113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).