3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole

C48H34F6N2O2 — CID 134192420

IUPAC3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(F)(F)F)cc1-c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccc(C)cc3c3cc(OC)ccc32)cc1
InChIInChI=1S/C48H34F6N2O2/c1-27-5-15-43-37(21-27)39-25-33(57-3)13-19-45(39)55(43)41-17-11-31(47(49,50)51)23-35(41)29-7-9-30(10-8-29)36-24-32(48(52,53)54)12-18-42(36)56-44-16-6-28(2)22-38(44)40-26-34(58-4)14-20-46(40)56/h5-26H,1-4H3
InChIKeyVDWUYWZNUNGNOV-UHFFFAOYSA-N
MW784.80 g/mol
LogP13.89
Rot. Bonds6

About 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole

3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole (PubChem CID 134192420) has the molecular formula C48H34F6N2O2 and a molecular weight of 784.80 g/mol. Its IUPAC name is 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole.

Molecular Properties

Compound Name3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole
PubChem CID134192420
Molecular FormulaC48H34F6N2O2
Molecular Weight784.80 g/mol
Exact Mass784.25
IUPAC Name3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole
SMILESCOc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(F)(F)F)cc1-c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccc(C)cc3c3cc(OC)ccc32)cc1
InChIInChI=1S/C48H34F6N2O2/c1-27-5-15-43-37(21-27)39-25-33(57-3)13-19-45(39)55(43)41-17-11-31(47(49,50)51)23-35(41)29-7-9-30(10-8-29)36-24-32(48(52,53)54)12-18-42(36)56-44-16-6-28(2)22-38(44)40-26-34(58-4)14-20-46(40)56/h5-26H,1-4H3
InChIKeyVDWUYWZNUNGNOV-UHFFFAOYSA-N
XLogP13.89
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.80
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole?
The IUPAC name of 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole (CID 134192420) is 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole.
What is the SMILES notation for 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole?
The canonical SMILES for 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole is COc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C(F)(F)F)cc1-c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccc(C)cc3c3cc(OC)ccc32)cc1.
What is the InChIKey of 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole?
The InChIKey is VDWUYWZNUNGNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34F6N2O2/c1-27-5-15-43-37(21-27)39-25-33(57-3)13-19-45(39)55(43)41-17-11-31(47(49,50)51)23-35(41)29-7-9-30(10-8-29)36-24-32(48(52,53)54)12-18-42(36)56-44-16-6-28(2)22-38(44)40-26-34(58-4)14-20-46(40)56/h5-26H,1-4H3.
What are the key properties of 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole?
3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole has a molecular weight of 784.80 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole is sourced from PubChem (CID 134192420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).