7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole

C94H70F6N2O4 — CID 90164137

IUPAC7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole
SMILESFC(F)=C(F)Oc1ccc(CCCCCOc2cc3c(c4ccccc24)c2cc(-c4ccc5c(c4)c4c6ccccc6c(OCCCCCc6ccc(OC(F)=C(F)F)cc6)cc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C94H70F6N2O4/c95-91(96)93(99)105-75-43-37-61(38-44-75)23-7-5-21-49-103-87-59-85-89(79-35-19-17-33-77(79)87)81-57-67(41-47-83(81)101(85)73-53-69(63-25-9-1-10-26-63)51-70(54-73)64-27-11-2-12-28-64)68-42-48-84-82(58-68)90-80-36-20-18-34-78(80)88(104-50-22-6-8-24-62-39-45-76(46-40-62)106-94(100)92(97)98)60-86(90)102(84)74-55-71(65-29-13-3-14-30-65)52-72(56-74)66-31-15-4-16-32-66/h1-4,9-20,25-48,51-60H,5-8,21-24,49-50H2
InChIKeyFLMMOIJOLUZYLW-UHFFFAOYSA-N
MW1405.59 g/mol
LogP26.93
Rot. Bonds25

About 7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole

7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole (PubChem CID 90164137) has the molecular formula C94H70F6N2O4 and a molecular weight of 1405.59 g/mol. Its IUPAC name is 7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole.

Molecular Properties

Compound Name7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole
PubChem CID90164137
Molecular FormulaC94H70F6N2O4
Molecular Weight1405.59 g/mol
Exact Mass1404.52
IUPAC Name7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole
SMILESFC(F)=C(F)Oc1ccc(CCCCCOc2cc3c(c4ccccc24)c2cc(-c4ccc5c(c4)c4c6ccccc6c(OCCCCCc6ccc(OC(F)=C(F)F)cc6)cc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C94H70F6N2O4/c95-91(96)93(99)105-75-43-37-61(38-44-75)23-7-5-21-49-103-87-59-85-89(79-35-19-17-33-77(79)87)81-57-67(41-47-83(81)101(85)73-53-69(63-25-9-1-10-26-63)51-70(54-73)64-27-11-2-12-28-64)68-42-48-84-82(58-68)90-80-36-20-18-34-78(80)88(104-50-22-6-8-24-62-39-45-76(46-40-62)106-94(100)92(97)98)60-86(90)102(84)74-55-71(65-29-13-3-14-30-65)52-72(56-74)66-31-15-4-16-32-66/h1-4,9-20,25-48,51-60H,5-8,21-24,49-50H2
InChIKeyFLMMOIJOLUZYLW-UHFFFAOYSA-N
XLogP26.93
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001405.59
LogP ≤ 526.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole?
The IUPAC name of 7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole (CID 90164137) is 7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole.
What is the SMILES notation for 7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole?
The canonical SMILES for 7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole is FC(F)=C(F)Oc1ccc(CCCCCOc2cc3c(c4ccccc24)c2cc(-c4ccc5c(c4)c4c6ccccc6c(OCCCCCc6ccc(OC(F)=C(F)F)cc6)cc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of 7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole?
The InChIKey is FLMMOIJOLUZYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H70F6N2O4/c95-91(96)93(99)105-75-43-37-61(38-44-75)23-7-5-21-49-103-87-59-85-89(79-35-19-17-33-77(79)87)81-57-67(41-47-83(81)101(85)73-53-69(63-25-9-1-10-26-63)51-70(54-73)64-27-11-2-12-28-64)68-42-48-84-82(58-68)90-80-36-20-18-34-78(80)88(104-50-22-6-8-24-62-39-45-76(46-40-62)106-94(100)92(97)98)60-86(90)102(84)74-55-71(65-29-13-3-14-30-65)52-72(56-74)66-31-15-4-16-32-66/h1-4,9-20,25-48,51-60H,5-8,21-24,49-50H2.
What are the key properties of 7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole?
7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole has a molecular weight of 1405.59 g/mol, XLogP of 26.93, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole is sourced from PubChem (CID 90164137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).