2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole

C49H47N3 — CID 140799931

IUPAC2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole
SMILESCc1cc2c3cc(C)c(C)cc3n(-c3ccc(-c4ncc(-c5ccccc5)n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)cc3)c2cc1C
InChIInChI=1S/C49H47N3/c1-30(2)41-27-39(36-15-11-9-12-16-36)28-42(31(3)4)48(41)52-47(37-17-13-10-14-18-37)29-50-49(52)38-19-21-40(22-20-38)51-45-25-34(7)32(5)23-43(45)44-24-33(6)35(8)26-46(44)51/h9-31H,1-8H3
InChIKeyLCSQHIJNQCAIDR-UHFFFAOYSA-N
MW677.94 g/mol
LogP13.45
Rot. Bonds7

About 2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole

2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole (PubChem CID 140799931) has the molecular formula C49H47N3 and a molecular weight of 677.94 g/mol. Its IUPAC name is 2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole
PubChem CID140799931
Molecular FormulaC49H47N3
Molecular Weight677.94 g/mol
Exact Mass677.38
IUPAC Name2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole
SMILESCc1cc2c3cc(C)c(C)cc3n(-c3ccc(-c4ncc(-c5ccccc5)n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)cc3)c2cc1C
InChIInChI=1S/C49H47N3/c1-30(2)41-27-39(36-15-11-9-12-16-36)28-42(31(3)4)48(41)52-47(37-17-13-10-14-18-37)29-50-49(52)38-19-21-40(22-20-38)51-45-25-34(7)32(5)23-43(45)44-24-33(6)35(8)26-46(44)51/h9-31H,1-8H3
InChIKeyLCSQHIJNQCAIDR-UHFFFAOYSA-N
XLogP13.45
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.94
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]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

bis[3-[5-[2,6-di(propan-2-yl)phenyl]-1-phenylimidazol-2-yl]phenyl]-dimethylsilane
CID 140593883
9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole
CID 167387926
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 118231168
1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
CID 140866253
5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole
CID 155139599
4-methyl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 148666975
2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene
CID 140720985
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
1-methyl-5-phenyl-2-propan-2-ylimidazole
CID 83381613
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole?
The IUPAC name of 2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole (CID 140799931) is 2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole.
What is the SMILES notation for 2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole?
The canonical SMILES for 2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole is Cc1cc2c3cc(C)c(C)cc3n(-c3ccc(-c4ncc(-c5ccccc5)n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)cc3)c2cc1C.
What is the InChIKey of 2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole?
The InChIKey is LCSQHIJNQCAIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H47N3/c1-30(2)41-27-39(36-15-11-9-12-16-36)28-42(31(3)4)48(41)52-47(37-17-13-10-14-18-37)29-50-49(52)38-19-21-40(22-20-38)51-45-25-34(7)32(5)23-43(45)44-24-33(6)35(8)26-46(44)51/h9-31H,1-8H3.
What are the key properties of 2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole?
2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole has a molecular weight of 677.94 g/mol, XLogP of 13.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethyl-9-[4-[5-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]carbazole is sourced from PubChem (CID 140799931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).