2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole

C54H48N4O — CID 162696349

IUPAC2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole
SMILESCc1ccc(C2(c3ccnc(-n4c5ccccc5c5ccc(Oc6cc(-c7ccccc7)cc(N7CN(C)c8ccccc87)c6)cc54)c3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C54H48N4O/c1-35-16-18-40(19-17-35)54(42-25-36-24-37(27-42)28-43(54)26-36)41-22-23-55-53(31-41)58-49-13-7-6-12-47(49)48-21-20-45(33-52(48)58)59-46-30-39(38-10-4-3-5-11-38)29-44(32-46)57-34-56(2)50-14-8-9-15-51(50)57/h3-23,29-33,36-37,42-43H,24-28,34H2,1-2H3
InChIKeyHLALNOOCZDOLPV-UHFFFAOYSA-N
MW769.00 g/mol
LogP13.23
Rot. Bonds7

About 2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole

2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole (PubChem CID 162696349) has the molecular formula C54H48N4O and a molecular weight of 769.00 g/mol. Its IUPAC name is 2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole
PubChem CID162696349
Molecular FormulaC54H48N4O
Molecular Weight769.00 g/mol
Exact Mass768.38
IUPAC Name2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole
SMILESCc1ccc(C2(c3ccnc(-n4c5ccccc5c5ccc(Oc6cc(-c7ccccc7)cc(N7CN(C)c8ccccc87)c6)cc54)c3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C54H48N4O/c1-35-16-18-40(19-17-35)54(42-25-36-24-37(27-42)28-43(54)26-36)41-22-23-55-53(31-41)58-49-13-7-6-12-47(49)48-21-20-45(33-52(48)58)59-46-30-39(38-10-4-3-5-11-38)29-44(32-46)57-34-56(2)50-14-8-9-15-51(50)57/h3-23,29-33,36-37,42-43H,24-28,34H2,1-2H3
InChIKeyHLALNOOCZDOLPV-UHFFFAOYSA-N
XLogP13.23
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]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

N,N-dimethyl-4-[2-[2-[2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-(2,4,6-trimethylphenyl)phenoxy]carbazol-9-yl]-4-pyridinyl]-2-adamantyl]aniline
CID 162696296
2-[3-[4-ethyl-2,6-di(propan-2-yl)phenyl]-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-[2-(3,4,5-trimethylphenyl)-2-adamantyl]-2-pyridinyl]carbazole
CID 162696230
2-[3-[3-(9,9-diphenylfluoren-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole
CID 162704363
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-phenanthren-1-yl-2-adamantyl)-2-pyridinyl]carbazole
CID 162696377
9-methyl-1-[9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazol-2-yl]oxy-3-(3-phenyl-2H-benzimidazol-1-yl)carbazole
CID 162696222
2-[3-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazole
CID 162696304
2-[3-(1-methyltriazol-4-yl)phenoxy]-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazole
CID 162696265
2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenoxy]-9-[4-(2,2,6,6-tetradeuterio-1-phenylcyclohexyl)-2-pyridinyl]carbazole
CID 162696398
2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole
CID 163748784
2-[3-[3-(4-fluorophenyl)-2H-benzimidazol-1-yl]-5-(4-methylphenyl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 172534034
9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155622877
9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490664

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole (CID 162696349) is 2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole is Cc1ccc(C2(c3ccnc(-n4c5ccccc5c5ccc(Oc6cc(-c7ccccc7)cc(N7CN(C)c8ccccc87)c6)cc54)c3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole?
The InChIKey is HLALNOOCZDOLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N4O/c1-35-16-18-40(19-17-35)54(42-25-36-24-37(27-42)28-43(54)26-36)41-22-23-55-53(31-41)58-49-13-7-6-12-47(49)48-21-20-45(33-52(48)58)59-46-30-39(38-10-4-3-5-11-38)29-44(32-46)57-34-56(2)50-14-8-9-15-51(50)57/h3-23,29-33,36-37,42-43H,24-28,34H2,1-2H3.
What are the key properties of 2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole?
2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole has a molecular weight of 769.00 g/mol, XLogP of 13.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyl-2H-benzimidazol-1-yl)-5-phenylphenoxy]-9-[4-[2-(4-methylphenyl)-2-adamantyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 162696349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).