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

C61H63N5 — CID 170935744

IUPAC9-[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
SMILESCc1ccc2c(c1)c1ccc(-n3c4ccc(C(C)(C)C)cc4c4cccnc43)cc1n2-c1cc(C2=N[C@]3(C)c4ccc(C)c(C)c4C[C@]3(C)N2c2c(C)c(C)cc(C)c2C)cc(C(C)C)c1
InChIInChI=1S/C61H63N5/c1-34(2)42-28-43(57-63-61(14)52-22-18-36(4)39(7)51(52)33-60(61,13)66(57)56-40(8)37(5)27-38(6)41(56)9)30-46(29-42)64-53-23-17-35(3)26-49(53)47-21-20-45(32-55(47)64)65-54-24-19-44(59(10,11)12)31-50(54)48-16-15-25-62-58(48)65/h15-32,34H,33H2,1-14H3/t60-,61+/m0/s1
InChIKeyOQECGPXFAWPGMW-PHEFMCIRSA-N
MW866.21 g/mol
LogP15.35
Rot. Bonds5

About 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

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 (PubChem CID 170935744) has the molecular formula C61H63N5 and a molecular weight of 866.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID170935744
Molecular FormulaC61H63N5
Molecular Weight866.21 g/mol
Exact Mass865.51
IUPAC Name9-[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
SMILESCc1ccc2c(c1)c1ccc(-n3c4ccc(C(C)(C)C)cc4c4cccnc43)cc1n2-c1cc(C2=N[C@]3(C)c4ccc(C)c(C)c4C[C@]3(C)N2c2c(C)c(C)cc(C)c2C)cc(C(C)C)c1
InChIInChI=1S/C61H63N5/c1-34(2)42-28-43(57-63-61(14)52-22-18-36(4)39(7)51(52)33-60(61,13)66(57)56-40(8)37(5)27-38(6)41(56)9)30-46(29-42)64-53-23-17-35(3)26-49(53)47-21-20-45(32-55(47)64)65-54-24-19-44(59(10,11)12)31-50(54)48-16-15-25-62-58(48)65/h15-32,34H,33H2,1-14H3/t60-,61+/m0/s1
InChIKeyOQECGPXFAWPGMW-PHEFMCIRSA-N
XLogP15.35
TPSA38.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.21
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
(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
14-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,4,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,6-dimethylphenyl)phenyl]-10-(4-tert-butyl-2-pyridinyl)-6,21,21-trimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 170933442
10-[3-[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-ylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridine;platinum(2+)
CID 170932368
(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
17-[3-[(3aS,8bR)-3-[2,6-di(propan-2-yl)phenyl]-3a,6,7,8b-tetramethyl-4H-indeno[1,2-d]imidazol-2-yl]-5-(2,4,6-trimethylphenyl)phenoxy]-10-tert-butyl-13,13,16-trimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 170935140
(3aR,8bR)-3a-tert-butyl-2-[3-tert-butyl-5-[3,6-dimethyl-2-(6-phenylpyrido[2,3-b]indol-9-yl)carbazol-9-yl]phenyl]-6,7,8b-trimethyl-4H-indeno[1,2-d][1,3]oxazole
CID 170934589
(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
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
(3aR,8bS)-2-[3-[3-tert-butyl-5-(6-tert-butylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-(2-tert-butyl-6-propan-2-ylphenyl)benzene-2-id-1-yl]-3a,5,6,8b-tetramethyl-4H-indeno[2,1-d][1,3]thiazole;platinum(2+)
CID 170934845
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)c1ccc(-n3c4ccc(C(C)(C)C)cc4c4cccnc43)cc1n2-c1cc(C2=N[C@]3(C)c4ccc(C)c(C)c4C[C@]3(C)N2c2c(C)c(C)cc(C)c2C)cc(C(C)C)c1.
What is the InChIKey of 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?
The InChIKey is OQECGPXFAWPGMW-PHEFMCIRSA-N. The full InChI is InChI=1S/C61H63N5/c1-34(2)42-28-43(57-63-61(14)52-22-18-36(4)39(7)51(52)33-60(61,13)66(57)56-40(8)37(5)27-38(6)41(56)9)30-46(29-42)64-53-23-17-35(3)26-49(53)47-21-20-45(32-55(47)64)65-54-24-19-44(59(10,11)12)31-50(54)48-16-15-25-62-58(48)65/h15-32,34H,33H2,1-14H3/t60-,61+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 866.21 g/mol, XLogP of 15.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170935744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).