9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine

C88H52F24N6O8 — CID 122546736

IUPAC9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
SMILESFC(F)(F)Oc1ccc(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2cccc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c2)cc1
InChIInChI=1S/C88H52F24N6O8/c89-81(90,91)119-65-24-4-53(5-25-65)115(54-6-26-66(27-7-54)120-82(92,93)94)61-20-40-77-73(45-61)74-46-62(116(55-8-28-67(29-9-55)121-83(95,96)97)56-10-30-68(31-11-56)122-84(98,99)100)21-41-78(74)113(77)49-51-2-1-3-52(44-51)50-114-79-42-22-63(117(57-12-32-69(33-13-57)123-85(101,102)103)58-14-34-70(35-15-58)124-86(104,105)106)47-75(79)76-48-64(23-43-80(76)114)118(59-16-36-71(37-17-59)125-87(107,108)109)60-18-38-72(39-19-60)126-88(110,111)112/h1-48H,49-50H2
InChIKeyOCZLRETYPXSPPN-UHFFFAOYSA-N
MW1777.37 g/mol
LogP29.07
Rot. Bonds24

About 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine

9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine (PubChem CID 122546736) has the molecular formula C88H52F24N6O8 and a molecular weight of 1777.37 g/mol. Its IUPAC name is 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
PubChem CID122546736
Molecular FormulaC88H52F24N6O8
Molecular Weight1777.37 g/mol
Exact Mass1776.35
IUPAC Name9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
SMILESFC(F)(F)Oc1ccc(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2cccc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c2)cc1
InChIInChI=1S/C88H52F24N6O8/c89-81(90,91)119-65-24-4-53(5-25-65)115(54-6-26-66(27-7-54)120-82(92,93)94)61-20-40-77-73(45-61)74-46-62(116(55-8-28-67(29-9-55)121-83(95,96)97)56-10-30-68(31-11-56)122-84(98,99)100)21-41-78(74)113(77)49-51-2-1-3-52(44-51)50-114-79-42-22-63(117(57-12-32-69(33-13-57)123-85(101,102)103)58-14-34-70(35-15-58)124-86(104,105)106)47-75(79)76-48-64(23-43-80(76)114)118(59-16-36-71(37-17-59)125-87(107,108)109)60-18-38-72(39-19-60)126-88(110,111)112/h1-48H,49-50H2
InChIKeyOCZLRETYPXSPPN-UHFFFAOYSA-N
XLogP29.07
TPSA96.66 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001777.37
LogP ≤ 529.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
The IUPAC name of 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine (CID 122546736) is 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine.
What is the SMILES notation for 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
The canonical SMILES for 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine is FC(F)(F)Oc1ccc(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2cccc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c2)cc1.
What is the InChIKey of 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
The InChIKey is OCZLRETYPXSPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H52F24N6O8/c89-81(90,91)119-65-24-4-53(5-25-65)115(54-6-26-66(27-7-54)120-82(92,93)94)61-20-40-77-73(45-61)74-46-62(116(55-8-28-67(29-9-55)121-83(95,96)97)56-10-30-68(31-11-56)122-84(98,99)100)21-41-78(74)113(77)49-51-2-1-3-52(44-51)50-114-79-42-22-63(117(57-12-32-69(33-13-57)123-85(101,102)103)58-14-34-70(35-15-58)124-86(104,105)106)47-75(79)76-48-64(23-43-80(76)114)118(59-16-36-71(37-17-59)125-87(107,108)109)60-18-38-72(39-19-60)126-88(110,111)112/h1-48H,49-50H2.
What are the key properties of 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine has a molecular weight of 1777.37 g/mol, XLogP of 29.07, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine is sourced from PubChem (CID 122546736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).