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

C50H57N5 — CID 170935838

IUPAC6-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
SMILESCc1ccc2c(c1)c1ccc(-n3c4ccc(C(C)(C)C)cc4c4cccnc43)cc1n2-c1cc(C2=N[C@H](C(C)(C)C)CN2C2CCCCC2)cc(C(C)C)c1
InChIInChI=1S/C50H57N5/c1-31(2)33-25-34(47-52-46(50(7,8)9)30-53(47)36-14-11-10-12-15-36)27-38(26-33)54-43-21-17-32(3)24-41(43)39-20-19-37(29-45(39)54)55-44-22-18-35(49(4,5)6)28-42(44)40-16-13-23-51-48(40)55/h13,16-29,31,36,46H,10-12,14-15,30H2,1-9H3/t46-/m0/s1
InChIKeyWRTRDJWWJQMOML-DXQCBLCSSA-N
MW728.04 g/mol
LogP12.81
Rot. Bonds5

About 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

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 (PubChem CID 170935838) has the molecular formula C50H57N5 and a molecular weight of 728.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID170935838
Molecular FormulaC50H57N5
Molecular Weight728.04 g/mol
Exact Mass727.46
IUPAC Name6-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
SMILESCc1ccc2c(c1)c1ccc(-n3c4ccc(C(C)(C)C)cc4c4cccnc43)cc1n2-c1cc(C2=N[C@H](C(C)(C)C)CN2C2CCCCC2)cc(C(C)C)c1
InChIInChI=1S/C50H57N5/c1-31(2)33-25-34(47-52-46(50(7,8)9)30-53(47)36-14-11-10-12-15-36)27-38(26-33)54-43-21-17-32(3)24-41(43)39-20-19-37(29-45(39)54)55-44-22-18-35(49(4,5)6)28-42(44)40-16-13-23-51-48(40)55/h13,16-29,31,36,46H,10-12,14-15,30H2,1-9H3/t46-/m0/s1
InChIKeyWRTRDJWWJQMOML-DXQCBLCSSA-N
XLogP12.81
TPSA38.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.04
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
9-[3-tert-butyl-5-[(4R)-4-tert-butyl-1-cyclohexyl-4,5-dihydroimidazol-2-yl]benzene-6-id-1-yl]-2-(4-tert-butyl-2-pyridinyl)-3,6-dimethyl-1H-carbazol-1-ide;platinum(2+)
CID 170932569
(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
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
9-[3,5-bis(3-tert-butyl-6-methylcarbazol-9-yl)phenyl]-3-tert-butyl-6-methylcarbazole
CID 59399788
7-methyl-9-phenylpyrido[2,3-b]indole
CID 140770345
(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
9-[3-[3,5-bis(3-tert-butylcarbazol-9-yl)phenyl]-5-(3-tert-butylcarbazol-9-yl)phenyl]-3-tert-butylcarbazole;3-tert-butyl-9-[3-[3-(3-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole;3-tert-butyl-9-[3-[3-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;3-(2-cyclohexylpropan-2-yl)-9-[3-[3-(2-cyclohexylpropan-2-yl)carbazol-9-yl]-5-phenylphenyl]carbazole
CID 159682927
(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-[2-(6-tert-butylpyrido[2,3-b]indol-9-yl)-6-methyl-1H-carbazol-1-id-9-yl]-5-propan-2-ylbenzene-2-id-1-yl]-4-methyl-4-(trideuteriomethyl)-5H-1,3-oxazole;platinum(2+)
CID 170934803

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)c1ccc(-n3c4ccc(C(C)(C)C)cc4c4cccnc43)cc1n2-c1cc(C2=N[C@H](C(C)(C)C)CN2C2CCCCC2)cc(C(C)C)c1.
What is the InChIKey of 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?
The InChIKey is WRTRDJWWJQMOML-DXQCBLCSSA-N. The full InChI is InChI=1S/C50H57N5/c1-31(2)33-25-34(47-52-46(50(7,8)9)30-53(47)36-14-11-10-12-15-36)27-38(26-33)54-43-21-17-32(3)24-41(43)39-20-19-37(29-45(39)54)55-44-22-18-35(49(4,5)6)28-42(44)40-16-13-23-51-48(40)55/h13,16-29,31,36,46H,10-12,14-15,30H2,1-9H3/t46-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 728.04 g/mol, XLogP of 12.81, 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-[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 is sourced from PubChem (CID 170935838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).