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

C60H44F6N2 — CID 163506769

IUPAC9-[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-methyl-6-(3-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]-3-methylphenyl]-3-(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c(c2)c2c(n3-c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3-c3c(C)cccc3-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)C=CC(C)C2)c1
InChIInChI=1S/C60H44F6N2/c1-35-10-7-13-39(26-35)41-19-23-54-49(31-41)47-15-5-6-16-52(47)68(54)57-17-9-12-38(4)58(57)51-33-43(44-29-45(59(61,62)63)34-46(30-44)60(64,65)66)21-25-56(51)67-53-22-18-37(3)28-48(53)50-32-42(20-24-55(50)67)40-14-8-11-36(2)27-40/h5-27,29-34,37H,28H2,1-4H3
InChIKeyCZFJPEWCMNDTGX-UHFFFAOYSA-N
MW907.01 g/mol
LogP17.56
Rot. Bonds6

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

9-[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-methyl-6-(3-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]-3-methylphenyl]-3-(3-methylphenyl)carbazole (PubChem CID 163506769) has the molecular formula C60H44F6N2 and a molecular weight of 907.01 g/mol. Its IUPAC name is 9-[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-methyl-6-(3-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]-3-methylphenyl]-3-(3-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-methyl-6-(3-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]-3-methylphenyl]-3-(3-methylphenyl)carbazole
PubChem CID163506769
Molecular FormulaC60H44F6N2
Molecular Weight907.01 g/mol
Exact Mass906.34
IUPAC Name9-[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-methyl-6-(3-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]-3-methylphenyl]-3-(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c(c2)c2c(n3-c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3-c3c(C)cccc3-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)C=CC(C)C2)c1
InChIInChI=1S/C60H44F6N2/c1-35-10-7-13-39(26-35)41-19-23-54-49(31-41)47-15-5-6-16-52(47)68(54)57-17-9-12-38(4)58(57)51-33-43(44-29-45(59(61,62)63)34-46(30-44)60(64,65)66)21-25-56(51)67-53-22-18-37(3)28-48(53)50-32-42(20-24-55(50)67)40-14-8-11-36(2)27-40/h5-27,29-34,37H,28H2,1-4H3
InChIKeyCZFJPEWCMNDTGX-UHFFFAOYSA-N
XLogP17.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.01
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-isocyano-2-[2-[3-(3-methylphenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 158331682
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 158456753
3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-dimethylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[3-isocyano-2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 161096824
2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3,6-diphenylcarbazol-9-yl)phenyl]-3-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 138499680
9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 157206329
3-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499654
2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 158568133
9-[3-isocyano-2-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 159158634
9-[3-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-isocyanophenyl]phenyl]-3-carbazol-9-ylcarbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(3,5-dimethylphenyl)phenyl]-3-isocyanophenyl]carbazole
CID 162186620
9-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 170283628
2-[2-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499635
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-isocyano-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 154603036

Frequently Asked Questions

What is the IUPAC name of 9-[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-methyl-6-(3-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]-3-methylphenyl]-3-(3-methylphenyl)carbazole?
The IUPAC name of 9-[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-methyl-6-(3-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]-3-methylphenyl]-3-(3-methylphenyl)carbazole (CID 163506769) is 9-[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-methyl-6-(3-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]-3-methylphenyl]-3-(3-methylphenyl)carbazole.
What is the SMILES notation for 9-[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-methyl-6-(3-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]-3-methylphenyl]-3-(3-methylphenyl)carbazole?
The canonical SMILES for 9-[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-methyl-6-(3-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]-3-methylphenyl]-3-(3-methylphenyl)carbazole is Cc1cccc(-c2ccc3c(c2)c2c(n3-c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3-c3c(C)cccc3-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)C=CC(C)C2)c1.
What is the InChIKey of 9-[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-methyl-6-(3-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]-3-methylphenyl]-3-(3-methylphenyl)carbazole?
The InChIKey is CZFJPEWCMNDTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44F6N2/c1-35-10-7-13-39(26-35)41-19-23-54-49(31-41)47-15-5-6-16-52(47)68(54)57-17-9-12-38(4)58(57)51-33-43(44-29-45(59(61,62)63)34-46(30-44)60(64,65)66)21-25-56(51)67-53-22-18-37(3)28-48(53)50-32-42(20-24-55(50)67)40-14-8-11-36(2)27-40/h5-27,29-34,37H,28H2,1-4H3.
What are the key properties of 9-[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-methyl-6-(3-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]-3-methylphenyl]-3-(3-methylphenyl)carbazole?
9-[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-methyl-6-(3-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]-3-methylphenyl]-3-(3-methylphenyl)carbazole has a molecular weight of 907.01 g/mol, XLogP of 17.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[3-methyl-6-(3-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]-3-methylphenyl]-3-(3-methylphenyl)carbazole is sourced from PubChem (CID 163506769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).