6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole

C48H62N4O — CID 170932781

IUPAC6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole
SMILESCc1cc(Oc2cc(C3=N[C@](C)(C(C)(C)C)C(C)(C)N3C3CCCCC3)cc(C(C)(C)C)c2)cc(-n2c3ccc(C(C)(C)C)cc3c3cccnc32)c1
InChIInChI=1S/C48H62N4O/c1-31-24-36(51-41-22-21-33(44(2,3)4)29-40(41)39-20-17-23-49-43(39)51)30-37(25-31)53-38-27-32(26-34(28-38)45(5,6)7)42-50-48(13,46(8,9)10)47(11,12)52(42)35-18-15-14-16-19-35/h17,20-30,35H,14-16,18-19H2,1-13H3/t48-/m1/s1
InChIKeyMGLGRXJBQPLBFH-QSCHNALKSA-N
MW711.05 g/mol
LogP12.85
Rot. Bonds5

About 6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole

6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole (PubChem CID 170932781) has the molecular formula C48H62N4O and a molecular weight of 711.05 g/mol. Its IUPAC name is 6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole
PubChem CID170932781
Molecular FormulaC48H62N4O
Molecular Weight711.05 g/mol
Exact Mass710.49
IUPAC Name6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole
SMILESCc1cc(Oc2cc(C3=N[C@](C)(C(C)(C)C)C(C)(C)N3C3CCCCC3)cc(C(C)(C)C)c2)cc(-n2c3ccc(C(C)(C)C)cc3c3cccnc32)c1
InChIInChI=1S/C48H62N4O/c1-31-24-36(51-41-22-21-33(44(2,3)4)29-40(41)39-20-17-23-49-43(39)51)30-37(25-31)53-38-27-32(26-34(28-38)45(5,6)7)42-50-48(13,46(8,9)10)47(11,12)52(42)35-18-15-14-16-19-35/h17,20-30,35H,14-16,18-19H2,1-13H3/t48-/m1/s1
InChIKeyMGLGRXJBQPLBFH-QSCHNALKSA-N
XLogP12.85
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.05
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole 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

6-tert-butyl-9-[3-[5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]-2,4-dimethylphenoxy]-5-methylphenyl]pyrido[2,3-b]indole
CID 170933562
(3aS,8bR)-2-[3-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylphenoxy]-5-propan-2-ylphenyl]-4,4-dideuterio-3a,5,6,8b-tetramethylindeno[1,2-d][1,3]oxazole
CID 170935278
(3aR,11bS)-6,9-ditert-butyl-2-[3-tert-butyl-5-[3-(6-tert-butyl-4-methylpyrido[2,3-b]indol-9-yl)-5-methylphenoxy]phenyl]-3a,11b-dimethylphenanthro[9,10-d][1,3]oxazole
CID 170932397
(3aR,6aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)phenoxy]-5-phenylphenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 170935023
(4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)phenoxy]-5-phenylphenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 170933904
6-tert-butyl-9-[9-[3-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]-5-propan-2-ylphenyl]-6-methylcarbazol-2-yl]pyrido[2,3-b]indole
CID 170935838
(3aR,8bS)-5-tert-butyl-2-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylphenoxy]-2,4-dimethylphenyl]-4,8b-dihydro-3aH-indeno[2,1-d][1,3]oxazole
CID 170934814
(3aS,9aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)phenoxy]-5-phenylphenyl]-6,7-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzoxazole
CID 170935565
(3aR,8bS)-8b-tert-butyl-2-[3-[3-tert-butyl-5-(6-tert-butyl-3-methylpyrido[2,3-b]indol-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-3a,6,7-trimethyl-4H-indeno[2,1-d][1,3]thiazole
CID 170934376
9-[9-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,5,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-propan-2-ylphenyl]-6-methylcarbazol-2-yl]-6-tert-butylpyrido[2,3-b]indole
CID 170935744
(3aR,8aS)-3a,8a-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)carbazol-9-yl]phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole
CID 170935165
9-[3-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]phenyl]pyrido[2,3-b]indole
CID 155650771

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole?
The IUPAC name of 6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole (CID 170932781) is 6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole?
The canonical SMILES for 6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole is Cc1cc(Oc2cc(C3=N[C@](C)(C(C)(C)C)C(C)(C)N3C3CCCCC3)cc(C(C)(C)C)c2)cc(-n2c3ccc(C(C)(C)C)cc3c3cccnc32)c1.
What is the InChIKey of 6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole?
The InChIKey is MGLGRXJBQPLBFH-QSCHNALKSA-N. The full InChI is InChI=1S/C48H62N4O/c1-31-24-36(51-41-22-21-33(44(2,3)4)29-40(41)39-20-17-23-49-43(39)51)30-37(25-31)53-38-27-32(26-34(28-38)45(5,6)7)42-50-48(13,46(8,9)10)47(11,12)52(42)35-18-15-14-16-19-35/h17,20-30,35H,14-16,18-19H2,1-13H3/t48-/m1/s1.
What are the key properties of 6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole?
6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole has a molecular weight of 711.05 g/mol, XLogP of 12.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-9-[3-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5,5-trimethylimidazol-2-yl]phenoxy]-5-methylphenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 170932781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).