6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C64H64N4O — CID 163653265

IUPAC6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCCC(C)CCC(C)(c1ccc2c(c1)c1ccccc1n2C(CC)(c1ccc(C)c(-c2ccccc2CCc2nccc3c2oc2cnccc23)c1)C(C)CC)n1c2ccccc2c2ccccc21
InChIInChI=1S/C64H64N4O/c1-8-42(4)33-36-63(7,67-57-24-16-13-21-49(57)50-22-14-17-25-58(50)67)46-30-32-60-55(39-46)51-23-15-18-26-59(51)68(60)64(10-3,44(6)9-2)47-29-27-43(5)54(40-47)48-20-12-11-19-45(48)28-31-56-62-53(35-38-66-56)52-34-37-65-41-61(52)69-62/h11-27,29-30,32,34-35,37-42,44H,8-10,28,31,33,36H2,1-7H3
InChIKeyIOAMZTXWXHMPFR-UHFFFAOYSA-N
MW905.24 g/mol
LogP17.14
Rot. Bonds15

About 6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 163653265) has the molecular formula C64H64N4O and a molecular weight of 905.24 g/mol. Its IUPAC name is 6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID163653265
Molecular FormulaC64H64N4O
Molecular Weight905.24 g/mol
Exact Mass904.51
IUPAC Name6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCCC(C)CCC(C)(c1ccc2c(c1)c1ccccc1n2C(CC)(c1ccc(C)c(-c2ccccc2CCc2nccc3c2oc2cnccc23)c1)C(C)CC)n1c2ccccc2c2ccccc21
InChIInChI=1S/C64H64N4O/c1-8-42(4)33-36-63(7,67-57-24-16-13-21-49(57)50-22-14-17-25-58(50)67)46-30-32-60-55(39-46)51-23-15-18-26-59(51)68(60)64(10-3,44(6)9-2)47-29-27-43(5)54(40-47)48-20-12-11-19-45(48)28-31-56-62-53(35-38-66-56)52-34-37-65-41-61(52)69-62/h11-27,29-30,32,34-35,37-42,44H,8-10,28,31,33,36H2,1-7H3
InChIKeyIOAMZTXWXHMPFR-UHFFFAOYSA-N
XLogP17.14
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.24
LogP ≤ 517.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

CID 23647585
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CID 172449163
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CID 86724828
CID 86724828
CID 90256961
CID 90256961
CID 90257149
CID 90257149
CID 129124608
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CID 129148181
CID 129148181
CID 129253532
CID 129253532
CID 129292576
CID 129292576
CID 134223337
CID 134223337

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 163653265) is 6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CCC(C)CCC(C)(c1ccc2c(c1)c1ccccc1n2C(CC)(c1ccc(C)c(-c2ccccc2CCc2nccc3c2oc2cnccc23)c1)C(C)CC)n1c2ccccc2c2ccccc21.
What is the InChIKey of 6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is IOAMZTXWXHMPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H64N4O/c1-8-42(4)33-36-63(7,67-57-24-16-13-21-49(57)50-22-14-17-25-58(50)67)46-30-32-60-55(39-46)51-23-15-18-26-59(51)68(60)64(10-3,44(6)9-2)47-29-27-43(5)54(40-47)48-20-12-11-19-45(48)28-31-56-62-53(35-38-66-56)52-34-37-65-41-61(52)69-62/h11-27,29-30,32,34-35,37-42,44H,8-10,28,31,33,36H2,1-7H3.
What are the key properties of 6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 905.24 g/mol, XLogP of 17.14, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[5-[3-[3-(2-carbazol-9-yl-5-methylheptan-2-yl)carbazol-9-yl]-4-methylhexan-3-yl]-2-methylphenyl]phenyl]ethyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 163653265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).