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

C72H53F12N — CID 170286520

IUPAC3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
SMILESCC(C)(C)c1cc(-c2ccccc2-n2c3ccc(-c4cc(-c5cccc(C(F)(F)F)c5)cc(-c5cccc(C(F)(F)F)c5)c4)cc3c3cc(-c4cc(-c5cccc(C(F)(F)F)c5)cc(-c5cccc(C(F)(F)F)c5)c4)ccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C72H53F12N/c1-67(2,3)59-37-54(38-60(41-59)68(4,5)6)61-21-7-8-22-64(61)85-65-25-23-46(52-29-48(42-13-9-17-55(33-42)69(73,74)75)27-49(30-52)43-14-10-18-56(34-43)70(76,77)78)39-62(65)63-40-47(24-26-66(63)85)53-31-50(44-15-11-19-57(35-44)71(79,80)81)28-51(32-53)45-16-12-20-58(36-45)72(82,83)84/h7-41H,1-6H3
InChIKeyPMEISIGHBBVFSQ-UHFFFAOYSA-N
MW1160.20 g/mol
LogP23.12
Rot. Bonds8

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

3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole (PubChem CID 170286520) has the molecular formula C72H53F12N and a molecular weight of 1160.20 g/mol. Its IUPAC name is 3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
PubChem CID170286520
Molecular FormulaC72H53F12N
Molecular Weight1160.20 g/mol
Exact Mass1159.40
IUPAC Name3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
SMILESCC(C)(C)c1cc(-c2ccccc2-n2c3ccc(-c4cc(-c5cccc(C(F)(F)F)c5)cc(-c5cccc(C(F)(F)F)c5)c4)cc3c3cc(-c4cc(-c5cccc(C(F)(F)F)c5)cc(-c5cccc(C(F)(F)F)c5)c4)ccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C72H53F12N/c1-67(2,3)59-37-54(38-60(41-59)68(4,5)6)61-21-7-8-22-64(61)85-65-25-23-46(52-29-48(42-13-9-17-55(33-42)69(73,74)75)27-49(30-52)43-14-10-18-56(34-43)70(76,77)78)39-62(65)63-40-47(24-26-66(63)85)53-31-50(44-15-11-19-57(35-44)71(79,80)81)28-51(32-53)45-16-12-20-58(36-45)72(82,83)84/h7-41H,1-6H3
InChIKeyPMEISIGHBBVFSQ-UHFFFAOYSA-N
XLogP23.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001160.20
LogP ≤ 523.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922
3,6-bis[3,5-bis(3,5-difluorophenyl)phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole
CID 169284769
9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 170283628
5-[2-[3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 169284834
9-[2-[3-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 166899924
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
4,18-diphenyl-8,14-bis(4-phenylphenyl)-11-[9-[2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 155763232
3,6-bis[3,5-bis(2-tert-butylphenyl)phenyl]-9-[2-(3,5-difluorophenyl)phenyl]carbazole
CID 169284758
3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170283720
3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155462942

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole?
The IUPAC name of 3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole (CID 170286520) is 3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole?
The canonical SMILES for 3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole is CC(C)(C)c1cc(-c2ccccc2-n2c3ccc(-c4cc(-c5cccc(C(F)(F)F)c5)cc(-c5cccc(C(F)(F)F)c5)c4)cc3c3cc(-c4cc(-c5cccc(C(F)(F)F)c5)cc(-c5cccc(C(F)(F)F)c5)c4)ccc32)cc(C(C)(C)C)c1.
What is the InChIKey of 3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole?
The InChIKey is PMEISIGHBBVFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H53F12N/c1-67(2,3)59-37-54(38-60(41-59)68(4,5)6)61-21-7-8-22-64(61)85-65-25-23-46(52-29-48(42-13-9-17-55(33-42)69(73,74)75)27-49(30-52)43-14-10-18-56(34-43)70(76,77)78)39-62(65)63-40-47(24-26-66(63)85)53-31-50(44-15-11-19-57(35-44)71(79,80)81)28-51(32-53)45-16-12-20-58(36-45)72(82,83)84/h7-41H,1-6H3.
What are the key properties of 3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole?
3,6-bis[3,5-bis[3-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole has a molecular weight of 1160.20 g/mol, XLogP of 23.12, 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-(trifluoromethyl)phenyl]phenyl]-9-[2-(3,5-ditert-butylphenyl)phenyl]carbazole is sourced from PubChem (CID 170286520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).