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

C72H53F12N — CID 170283752

IUPAC9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1ccc(C(F)(F)F)c(-c2cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc(C(F)(F)F)ccc6C)cc(-c6cc(C)ccc6C(F)(F)F)c5)ccc3n4-c3ccccc3-c3ccccc3C(C)(C)C)cc(-c3cc(C(F)(F)F)ccc3C)c2)c1
InChIInChI=1S/C72H53F12N/c1-40-16-24-63(71(79,80)81)58(28-40)50-32-46(30-48(34-50)56-38-52(69(73,74)75)22-18-42(56)3)44-20-26-66-60(36-44)61-37-45(21-27-67(61)85(66)65-15-11-9-13-55(65)54-12-8-10-14-62(54)68(5,6)7)47-31-49(57-39-53(70(76,77)78)23-19-43(57)4)35-51(33-47)59-29-41(2)17-25-64(59)72(82,83)84/h8-39H,1-7H3
InChIKeyZLHCDDAXZVRLBP-UHFFFAOYSA-N
MW1160.20 g/mol
LogP23.06
Rot. Bonds8

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

9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 170283752) has the molecular formula C72H53F12N and a molecular weight of 1160.20 g/mol. Its IUPAC name is 9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID170283752
Molecular FormulaC72H53F12N
Molecular Weight1160.20 g/mol
Exact Mass1159.40
IUPAC Name9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1ccc(C(F)(F)F)c(-c2cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc(C(F)(F)F)ccc6C)cc(-c6cc(C)ccc6C(F)(F)F)c5)ccc3n4-c3ccccc3-c3ccccc3C(C)(C)C)cc(-c3cc(C(F)(F)F)ccc3C)c2)c1
InChIInChI=1S/C72H53F12N/c1-40-16-24-63(71(79,80)81)58(28-40)50-32-46(30-48(34-50)56-38-52(69(73,74)75)22-18-42(56)3)44-20-26-66-60(36-44)61-37-45(21-27-67(61)85(66)65-15-11-9-13-55(65)54-12-8-10-14-62(54)68(5,6)7)47-31-49(57-39-53(70(76,77)78)23-19-43(57)4)35-51(33-47)59-29-41(2)17-25-64(59)72(82,83)84/h8-39H,1-7H3
InChIKeyZLHCDDAXZVRLBP-UHFFFAOYSA-N
XLogP23.06
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 ≤ 523.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(2-tert-butylphenyl)-3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 170283688
3,6-bis[3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170283720
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-bis[4-(trifluoromethyl)phenyl]phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170285384
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-dideuteriophenyl)phenyl]-9-[2-(2-tert-butylphenyl)phenyl]carbazole
CID 169284709
9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 170283628
3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole
CID 170285666
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-(trideuteriomethyl)phenyl]carbazole
CID 169284823
3,6-bis[3,5-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 170285922

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 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) is 9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole is Cc1ccc(C(F)(F)F)c(-c2cc(-c3ccc4c(c3)c3cc(-c5cc(-c6cc(C(F)(F)F)ccc6C)cc(-c6cc(C)ccc6C(F)(F)F)c5)ccc3n4-c3ccccc3-c3ccccc3C(C)(C)C)cc(-c3cc(C(F)(F)F)ccc3C)c2)c1.
What is the InChIKey of 9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is ZLHCDDAXZVRLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H53F12N/c1-40-16-24-63(71(79,80)81)58(28-40)50-32-46(30-48(34-50)56-38-52(69(73,74)75)22-18-42(56)3)44-20-26-66-60(36-44)61-37-45(21-27-67(61)85(66)65-15-11-9-13-55(65)54-12-8-10-14-62(54)68(5,6)7)47-31-49(57-39-53(70(76,77)78)23-19-43(57)4)35-51(33-47)59-29-41(2)17-25-64(59)72(82,83)84/h8-39H,1-7H3.
What are the key properties of 9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole?
9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 1160.20 g/mol, XLogP of 23.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-tert-butylphenyl)phenyl]-3,6-bis[3-[2-methyl-5-(trifluoromethyl)phenyl]-5-[5-methyl-2-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 170283752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).