3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole

C68H49F8N — CID 169284769

IUPAC3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
SMILESCC(C)(C)c1cc(-c2ccccc2-n2c3ccc(-c4cc(-c5cc(F)cc(F)c5)cc(-c5cc(F)cc(F)c5)c4)cc3c3cc(-c4cc(-c5cc(F)cc(F)c5)cc(-c5cc(F)cc(F)c5)c4)ccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C68H49F8N/c1-67(2,3)51-21-50(22-52(33-51)68(4,5)6)61-9-7-8-10-64(61)77-65-13-11-38(40-15-42(46-23-53(69)34-54(70)24-46)19-43(16-40)47-25-55(71)35-56(72)26-47)31-62(65)63-32-39(12-14-66(63)77)41-17-44(48-27-57(73)36-58(74)28-48)20-45(18-41)49-29-59(75)37-60(76)30-49/h7-37H,1-6H3
InChIKeyDIDCQENWSPGSBW-UHFFFAOYSA-N
MW1032.13 g/mol
LogP20.16
Rot. Bonds8

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

3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole (PubChem CID 169284769) has the molecular formula C68H49F8N and a molecular weight of 1032.13 g/mol. Its IUPAC name is 3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
PubChem CID169284769
Molecular FormulaC68H49F8N
Molecular Weight1032.13 g/mol
Exact Mass1031.37
IUPAC Name3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
SMILESCC(C)(C)c1cc(-c2ccccc2-n2c3ccc(-c4cc(-c5cc(F)cc(F)c5)cc(-c5cc(F)cc(F)c5)c4)cc3c3cc(-c4cc(-c5cc(F)cc(F)c5)cc(-c5cc(F)cc(F)c5)c4)ccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C68H49F8N/c1-67(2,3)51-21-50(22-52(33-51)68(4,5)6)61-9-7-8-10-64(61)77-65-13-11-38(40-15-42(46-23-53(69)34-54(70)24-46)19-43(16-40)47-25-55(71)35-56(72)26-47)31-62(65)63-32-39(12-14-66(63)77)41-17-44(48-27-57(73)36-58(74)28-48)20-45(18-41)49-29-59(75)37-60(76)30-49/h7-37H,1-6H3
InChIKeyDIDCQENWSPGSBW-UHFFFAOYSA-N
XLogP20.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001032.13
LogP ≤ 520.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3,5-ditert-butylphenyl)phenyl]-9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]carbazole
CID 169284714
3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 170286520
3,6-bis(3,5-difluorophenyl)-9-(2-phenylphenyl)carbazole
CID 169284749
5-[2-[3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 169284834
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 170283628
2-[2-[3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 169284686
3,6-dibromo-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 169284775
4-[2-[2-[3,6-bis(3,5-ditert-butylphenyl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 169284776
2-[3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]carbazol-9-yl]benzonitrile
CID 169284889
9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 155636561

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole?
The IUPAC name of 3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole (CID 169284769) is 3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole?
The canonical SMILES for 3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole is CC(C)(C)c1cc(-c2ccccc2-n2c3ccc(-c4cc(-c5cc(F)cc(F)c5)cc(-c5cc(F)cc(F)c5)c4)cc3c3cc(-c4cc(-c5cc(F)cc(F)c5)cc(-c5cc(F)cc(F)c5)c4)ccc32)cc(C(C)(C)C)c1.
What is the InChIKey of 3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole?
The InChIKey is DIDCQENWSPGSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49F8N/c1-67(2,3)51-21-50(22-52(33-51)68(4,5)6)61-9-7-8-10-64(61)77-65-13-11-38(40-15-42(46-23-53(69)34-54(70)24-46)19-43(16-40)47-25-55(71)35-56(72)26-47)31-62(65)63-32-39(12-14-66(63)77)41-17-44(48-27-57(73)36-58(74)28-48)20-45(18-41)49-29-59(75)37-60(76)30-49/h7-37H,1-6H3.
What are the key properties of 3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole?
3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole has a molecular weight of 1032.13 g/mol, XLogP of 20.16, 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-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole is sourced from PubChem (CID 169284769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).