9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole

C42H30F6N2O4 — CID 138736003

IUPAC9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole
SMILESCOc1ccc2c3ccc(OC)cc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6cc(OC)ccc6c6ccc(OC)cc65)c4)ccc3C(F)(F)F)c2c1
InChIInChI=1S/C42H30F6N2O4/c1-51-25-7-11-29-30-12-8-26(52-2)20-36(30)49(35(29)19-25)39-17-23(5-15-33(39)41(43,44)45)24-6-16-34(42(46,47)48)40(18-24)50-37-21-27(53-3)9-13-31(37)32-14-10-28(54-4)22-38(32)50/h5-22H,1-4H3
InChIKeyBWRPILREWCBRGE-UHFFFAOYSA-N
MW740.70 g/mol
LogP11.62
Rot. Bonds7

About 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole

9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole (PubChem CID 138736003) has the molecular formula C42H30F6N2O4 and a molecular weight of 740.70 g/mol. Its IUPAC name is 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole.

Molecular Properties

Compound Name9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole
PubChem CID138736003
Molecular FormulaC42H30F6N2O4
Molecular Weight740.70 g/mol
Exact Mass740.21
IUPAC Name9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole
SMILESCOc1ccc2c3ccc(OC)cc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6cc(OC)ccc6c6ccc(OC)cc65)c4)ccc3C(F)(F)F)c2c1
InChIInChI=1S/C42H30F6N2O4/c1-51-25-7-11-29-30-12-8-26(52-2)20-36(30)49(35(29)19-25)39-17-23(5-15-33(39)41(43,44)45)24-6-16-34(42(46,47)48)40(18-24)50-37-21-27(53-3)9-13-31(37)32-14-10-28(54-4)22-38(32)50/h5-22H,1-4H3
InChIKeyBWRPILREWCBRGE-UHFFFAOYSA-N
XLogP11.62
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.70
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole?
The IUPAC name of 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole (CID 138736003) is 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole.
What is the SMILES notation for 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole?
The canonical SMILES for 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole is COc1ccc2c3ccc(OC)cc3n(-c3cc(-c4ccc(C(F)(F)F)c(-n5c6cc(OC)ccc6c6ccc(OC)cc65)c4)ccc3C(F)(F)F)c2c1.
What is the InChIKey of 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole?
The InChIKey is BWRPILREWCBRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F6N2O4/c1-51-25-7-11-29-30-12-8-26(52-2)20-36(30)49(35(29)19-25)39-17-23(5-15-33(39)41(43,44)45)24-6-16-34(42(46,47)48)40(18-24)50-37-21-27(53-3)9-13-31(37)32-14-10-28(54-4)22-38(32)50/h5-22H,1-4H3.
What are the key properties of 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole?
9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole has a molecular weight of 740.70 g/mol, XLogP of 11.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[3-(2,7-dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole is sourced from PubChem (CID 138736003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).