9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole

C66H46F6N2 — CID 162571765

IUPAC9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cc(C(F)(F)F)cc(-n5c6cc(-c7ccc(C)cc7)ccc6c6ccc(-c7ccc(C)cc7)cc65)c4-c4cccc(C(F)(F)F)c4)c3c2)cc1
InChIInChI=1S/C66H46F6N2/c1-39-8-16-43(17-9-39)47-24-28-54-55-29-25-48(44-18-10-40(2)11-19-44)34-59(55)73(58(54)33-47)62-37-53(66(70,71)72)38-63(64(62)51-6-5-7-52(32-51)65(67,68)69)74-60-35-49(45-20-12-41(3)13-21-45)26-30-56(60)57-31-27-50(36-61(57)74)46-22-14-42(4)15-23-46/h5-38H,1-4H3
InChIKeyKRAQCUPMWACPMG-UHFFFAOYSA-N
MW981.10 g/mol
LogP19.49
Rot. Bonds7

About 9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole

9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole (PubChem CID 162571765) has the molecular formula C66H46F6N2 and a molecular weight of 981.10 g/mol. Its IUPAC name is 9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole
PubChem CID162571765
Molecular FormulaC66H46F6N2
Molecular Weight981.10 g/mol
Exact Mass980.36
IUPAC Name9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cc(C(F)(F)F)cc(-n5c6cc(-c7ccc(C)cc7)ccc6c6ccc(-c7ccc(C)cc7)cc65)c4-c4cccc(C(F)(F)F)c4)c3c2)cc1
InChIInChI=1S/C66H46F6N2/c1-39-8-16-43(17-9-39)47-24-28-54-55-29-25-48(44-18-10-40(2)11-19-44)34-59(55)73(58(54)33-47)62-37-53(66(70,71)72)38-63(64(62)51-6-5-7-52(32-51)65(67,68)69)74-60-35-49(45-20-12-41(3)13-21-45)26-30-56(60)57-31-27-50(36-61(57)74)46-22-14-42(4)15-23-46/h5-38H,1-4H3
InChIKeyKRAQCUPMWACPMG-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-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 162571767
3-[2,6-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238220
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
3-[2,6-bis(2,7-dimethylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238069
2-(4-methylphenyl)-9-[2-[2-(4-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162610922
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
3-[9-[2-(3-cyanophenyl)-3-[2-(3-cyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile
CID 142465716
3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 154040956
3-[3-[[3-[9-[5-cyano-3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-methylphenyl]methyl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 162571719
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
2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole
CID 155216454
2,6-bis[2,7-bis(4-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142502030

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole?
The IUPAC name of 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) is 9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole.
What is the SMILES notation for 9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole?
The canonical SMILES for 9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole is Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cc(C(F)(F)F)cc(-n5c6cc(-c7ccc(C)cc7)ccc6c6ccc(-c7ccc(C)cc7)cc65)c4-c4cccc(C(F)(F)F)c4)c3c2)cc1.
What is the InChIKey of 9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole?
The InChIKey is KRAQCUPMWACPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46F6N2/c1-39-8-16-43(17-9-39)47-24-28-54-55-29-25-48(44-18-10-40(2)11-19-44)34-59(55)73(58(54)33-47)62-37-53(66(70,71)72)38-63(64(62)51-6-5-7-52(32-51)65(67,68)69)74-60-35-49(45-20-12-41(3)13-21-45)26-30-56(60)57-31-27-50(36-61(57)74)46-22-14-42(4)15-23-46/h5-38H,1-4H3.
What are the key properties of 9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole?
9-[3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-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-[2,7-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(4-methylphenyl)carbazole is sourced from PubChem (CID 162571765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).