9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole

C66H46F6N2 — CID 162571767

IUPAC9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(C(F)(F)F)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C66H46F6N2/c1-39-8-16-43(17-9-39)47-24-28-58-54(33-47)55-34-48(44-18-10-40(2)11-19-44)25-29-59(55)73(58)62-37-53(66(70,71)72)38-63(64(62)51-6-5-7-52(32-51)65(67,68)69)74-60-30-26-49(45-20-12-41(3)13-21-45)35-56(60)57-36-50(27-31-61(57)74)46-22-14-42(4)15-23-46/h5-38H,1-4H3
InChIKeyMAVFVMVDXDIQEM-UHFFFAOYSA-N
MW981.10 g/mol
LogP19.49
Rot. Bonds7

About 9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole

9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole (PubChem CID 162571767) has the molecular formula C66H46F6N2 and a molecular weight of 981.10 g/mol. Its IUPAC name is 9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
PubChem CID162571767
Molecular FormulaC66H46F6N2
Molecular Weight981.10 g/mol
Exact Mass980.36
IUPAC Name9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(C(F)(F)F)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C66H46F6N2/c1-39-8-16-43(17-9-39)47-24-28-58-54(33-47)55-34-48(44-18-10-40(2)11-19-44)25-29-59(55)73(58)62-37-53(66(70,71)72)38-63(64(62)51-6-5-7-52(32-51)65(67,68)69)74-60-30-26-49(45-20-12-41(3)13-21-45)35-56(60)57-36-50(27-31-61(57)74)46-22-14-42(4)15-23-46/h5-38H,1-4H3
InChIKeyMAVFVMVDXDIQEM-UHFFFAOYSA-N
XLogP19.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.10
LogP ≤ 519.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole
CID 162571765
9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole
CID 162571789
2-[9-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 142501874
3-[2,6-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238220
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 138486422
9-[2-fluoro-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431493
9-[2,5-bis(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 122431504
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 134287704
4-(3-cyanophenyl)-3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 162083816
9-[3-(3,6-dimethylcarbazol-9-yl)-2,5-bis(trifluoromethyl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 163544817
3-[2,6-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238069
9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole
CID 162571794

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole?
The IUPAC name of 9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole (CID 162571767) is 9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole.
What is the SMILES notation for 9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole?
The canonical SMILES for 9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(C(F)(F)F)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)c2-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole?
The InChIKey is MAVFVMVDXDIQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46F6N2/c1-39-8-16-43(17-9-39)47-24-28-58-54(33-47)55-34-48(44-18-10-40(2)11-19-44)25-29-59(55)73(58)62-37-53(66(70,71)72)38-63(64(62)51-6-5-7-52(32-51)65(67,68)69)74-60-30-26-49(45-20-12-41(3)13-21-45)35-56(60)57-36-50(27-31-61(57)74)46-22-14-42(4)15-23-46/h5-38H,1-4H3.
What are the key properties of 9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole?
9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole has a molecular weight of 981.10 g/mol, XLogP of 19.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole is sourced from PubChem (CID 162571767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).