3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole

C64H49N — CID 169284709

IUPAC3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole
SMILES[2H]c1cc([2H])cc(-c2cc(-c3cc([2H])cc([2H])c3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc([2H])cc([2H])c6)cc(-c6cc([2H])cc([2H])c6)c5)ccc3n4-c3ccccc3-c3ccccc3C(C)(C)C)c2)c1
InChIInChI=1S/C64H49N/c1-64(2,3)60-30-18-16-28-56(60)57-29-17-19-31-61(57)65-62-34-32-48(54-38-50(44-20-8-4-9-21-44)36-51(39-54)45-22-10-5-11-23-45)42-58(62)59-43-49(33-35-63(59)65)55-40-52(46-24-12-6-13-25-46)37-53(41-55)47-26-14-7-15-27-47/h4-43H,1-3H3/i8D,9D,10D,11D,12D,13D,14D,15D
InChIKeyAVPORBMJIGNLPR-WTHONDTNSA-N
MW840.15 g/mol
LogP17.75
Rot. Bonds8

About 3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole

3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole (PubChem CID 169284709) has the molecular formula C64H49N and a molecular weight of 840.15 g/mol. Its IUPAC name is 3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole
PubChem CID169284709
Molecular FormulaC64H49N
Molecular Weight840.15 g/mol
Exact Mass839.44
IUPAC Name3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole
SMILES[2H]c1cc([2H])cc(-c2cc(-c3cc([2H])cc([2H])c3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc([2H])cc([2H])c6)cc(-c6cc([2H])cc([2H])c6)c5)ccc3n4-c3ccccc3-c3ccccc3C(C)(C)C)c2)c1
InChIInChI=1S/C64H49N/c1-64(2,3)60-30-18-16-28-56(60)57-29-17-19-31-61(57)65-62-34-32-48(54-38-50(44-20-8-4-9-21-44)36-51(39-54)45-22-10-5-11-23-45)42-58(62)59-43-49(33-35-63(59)65)55-40-52(46-24-12-6-13-25-46)37-53(41-55)47-26-14-7-15-27-47/h4-43H,1-3H3/i8D,9D,10D,11D,12D,13D,14D,15D
InChIKeyAVPORBMJIGNLPR-WTHONDTNSA-N
XLogP17.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.15
LogP ≤ 517.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[3-[6-[3,5-bis(3,5-dicyanophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-5-(3,5-dicyanophenyl)phenyl]benzene-1,3-dicarbonitrile
CID 170286516
3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(3,5-difluorophenyl)phenyl]carbazole
CID 169284758
3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(trideuteriomethyl)phenyl]carbazole
CID 169284823
9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 170283752
3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole
CID 170285666
9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 170283688
3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]carbazole
CID 169284714
2-[2-[3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 169284686
3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170283657
3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 169284769
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole?
The IUPAC name of 3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole (CID 169284709) is 3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole?
The canonical SMILES for 3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole is [2H]c1cc([2H])cc(-c2cc(-c3cc([2H])cc([2H])c3)cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc([2H])cc([2H])c6)cc(-c6cc([2H])cc([2H])c6)c5)ccc3n4-c3ccccc3-c3ccccc3C(C)(C)C)c2)c1.
What is the InChIKey of 3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole?
The InChIKey is AVPORBMJIGNLPR-WTHONDTNSA-N. The full InChI is InChI=1S/C64H49N/c1-64(2,3)60-30-18-16-28-56(60)57-29-17-19-31-61(57)65-62-34-32-48(54-38-50(44-20-8-4-9-21-44)36-51(39-54)45-22-10-5-11-23-45)42-58(62)59-43-49(33-35-63(59)65)55-40-52(46-24-12-6-13-25-46)37-53(41-55)47-26-14-7-15-27-47/h4-43H,1-3H3/i8D,9D,10D,11D,12D,13D,14D,15D.
What are the key properties of 3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole?
3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole has a molecular weight of 840.15 g/mol, XLogP of 17.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[3,5-bis(3,5-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole is sourced from PubChem (CID 169284709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).