2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol

C91H86N2O4 — CID 58649365

IUPAC2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cc(C)cc(-c3ccccc3OC(C)C[C@@H](C)Oc3ccccc3-c3cc(C)cc(-n4c5ccc(-c6c(C)cc(C)cc6C)cc5c5cc(-c6c(C)cc(C)cc6C)ccc54)c3O)c2O)c(C)c1
InChIInChI=1S/C91H86N2O4/c1-50-33-56(7)86(57(8)34-50)66-25-29-78-72(46-66)73-47-67(87-58(9)35-51(2)36-59(87)10)26-30-79(73)92(78)82-43-54(5)41-76(90(82)94)70-21-17-19-23-84(70)96-64(15)45-65(16)97-85-24-20-18-22-71(85)77-42-55(6)44-83(91(77)95)93-80-31-27-68(88-60(11)37-52(3)38-61(88)12)48-74(80)75-49-69(28-32-81(75)93)89-62(13)39-53(4)40-63(89)14/h17-44,46-49,64-65,94-95H,45H2,1-16H3/t64-,65?/m1/s1
InChIKeyDCDGIZOJLZIIBQ-NYIXDPMVSA-N
MW1271.70 g/mol
LogP24.24
Rot. Bonds14

About 2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol

2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol (PubChem CID 58649365) has the molecular formula C91H86N2O4 and a molecular weight of 1271.70 g/mol. Its IUPAC name is 2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol.

Molecular Properties

Compound Name2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
PubChem CID58649365
Molecular FormulaC91H86N2O4
Molecular Weight1271.70 g/mol
Exact Mass1270.66
IUPAC Name2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cc(C)cc(-c3ccccc3OC(C)C[C@@H](C)Oc3ccccc3-c3cc(C)cc(-n4c5ccc(-c6c(C)cc(C)cc6C)cc5c5cc(-c6c(C)cc(C)cc6C)ccc54)c3O)c2O)c(C)c1
InChIInChI=1S/C91H86N2O4/c1-50-33-56(7)86(57(8)34-50)66-25-29-78-72(46-66)73-47-67(87-58(9)35-51(2)36-59(87)10)26-30-79(73)92(78)82-43-54(5)41-76(90(82)94)70-21-17-19-23-84(70)96-64(15)45-65(16)97-85-24-20-18-22-71(85)77-42-55(6)44-83(91(77)95)93-80-31-27-68(88-60(11)37-52(3)38-61(88)12)48-74(80)75-49-69(28-32-81(75)93)89-62(13)39-53(4)40-63(89)14/h17-44,46-49,64-65,94-95H,45H2,1-16H3/t64-,65?/m1/s1
InChIKeyDCDGIZOJLZIIBQ-NYIXDPMVSA-N
XLogP24.24
TPSA68.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001271.70
LogP ≤ 524.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol with MolForge

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Related Compounds

2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
CID 58649310
2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R)-4-[2-(2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
CID 143133741
3,6-ditert-butyl-9H-carbazole;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R)-4-[2-(2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
CID 143133740
2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol
CID 147481920
2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol
CID 21030294
2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]propoxy]phenyl]-4-methylphenol;hafnium(4+);chloride
CID 24826473
1-bromo-2-[(2S,4S)-4-(2-bromophenoxy)pentan-2-yl]oxybenzene;9-[3-bromo-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;2-carbazol-9-yl-6-[2-[(2S,4S)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol;9-[3-[2-[(2S,4S)-4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole;chlorozinc(1+);9-[2-(2-methoxyethoxymethoxy)-5-methylbenzene-3-id-1-yl]carbazole;hydrochloride
CID 158192174
2-(2-methoxyphenyl)-6-pyrrol-1-yl-4-(2,4,6-trimethylphenyl)phenol
CID 126672446
2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol
CID 21030278
2-carbazol-9-yl-4-[2-[(2S,4S)-4-[2-(2-carbazol-9-yl-3-hydroxy-4-pyridinyl)phenoxy]pentan-2-yl]oxyphenyl]pyridin-3-ol
CID 58705189
2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol
CID 21030303
carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium
CID 164801993

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol?
The IUPAC name of 2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol (CID 58649365) is 2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol.
What is the SMILES notation for 2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol?
The canonical SMILES for 2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol is Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cc(C)cc(-c3ccccc3OC(C)C[C@@H](C)Oc3ccccc3-c3cc(C)cc(-n4c5ccc(-c6c(C)cc(C)cc6C)cc5c5cc(-c6c(C)cc(C)cc6C)ccc54)c3O)c2O)c(C)c1.
What is the InChIKey of 2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol?
The InChIKey is DCDGIZOJLZIIBQ-NYIXDPMVSA-N. The full InChI is InChI=1S/C91H86N2O4/c1-50-33-56(7)86(57(8)34-50)66-25-29-78-72(46-66)73-47-67(87-58(9)35-51(2)36-59(87)10)26-30-79(73)92(78)82-43-54(5)41-76(90(82)94)70-21-17-19-23-84(70)96-64(15)45-65(16)97-85-24-20-18-22-71(85)77-42-55(6)44-83(91(77)95)93-80-31-27-68(88-60(11)37-52(3)38-61(88)12)48-74(80)75-49-69(28-32-81(75)93)89-62(13)39-53(4)40-63(89)14/h17-44,46-49,64-65,94-95H,45H2,1-16H3/t64-,65?/m1/s1.
What are the key properties of 2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol?
2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol has a molecular weight of 1271.70 g/mol, XLogP of 24.24, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[(2R)-4-[2-[3-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-methylphenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol is sourced from PubChem (CID 58649365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).