10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine

C69H42F15N3 — CID 135130813

IUPAC10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2c(-c3c(F)c(F)c(F)c(F)c3F)c(N3c4ccccc4C(C)(C)c4ccccc43)c(-c3c(F)c(F)c(F)c(F)c3F)c(N3c4ccccc4C(C)(C)c4ccccc43)c2-c2c(F)c(F)c(F)c(F)c2F)c2ccccc21
InChIInChI=1S/C69H42F15N3/c1-67(2)31-19-7-13-25-37(31)85(38-26-14-8-20-32(38)67)64-46(43-49(70)55(76)61(82)56(77)50(43)71)65(86-39-27-15-9-21-33(39)68(3,4)34-22-10-16-28-40(34)86)48(45-53(74)59(80)63(84)60(81)54(45)75)66(47(64)44-51(72)57(78)62(83)58(79)52(44)73)87-41-29-17-11-23-35(41)69(5,6)36-24-12-18-30-42(36)87/h7-30H,1-6H3
InChIKeyUBWWSEBONWEBTN-UHFFFAOYSA-N
MW1198.09 g/mol
LogP21.10
Rot. Bonds6

About 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine

10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine (PubChem CID 135130813) has the molecular formula C69H42F15N3 and a molecular weight of 1198.09 g/mol. Its IUPAC name is 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine
PubChem CID135130813
Molecular FormulaC69H42F15N3
Molecular Weight1198.09 g/mol
Exact Mass1197.31
IUPAC Name10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2c(-c3c(F)c(F)c(F)c(F)c3F)c(N3c4ccccc4C(C)(C)c4ccccc43)c(-c3c(F)c(F)c(F)c(F)c3F)c(N3c4ccccc4C(C)(C)c4ccccc43)c2-c2c(F)c(F)c(F)c(F)c2F)c2ccccc21
InChIInChI=1S/C69H42F15N3/c1-67(2)31-19-7-13-25-37(31)85(38-26-14-8-20-32(38)67)64-46(43-49(70)55(76)61(82)56(77)50(43)71)65(86-39-27-15-9-21-33(39)68(3,4)34-22-10-16-28-40(34)86)48(45-53(74)59(80)63(84)60(81)54(45)75)66(47(64)44-51(72)57(78)62(83)58(79)52(44)73)87-41-29-17-11-23-35(41)69(5,6)36-24-12-18-30-42(36)87/h7-30H,1-6H3
InChIKeyUBWWSEBONWEBTN-UHFFFAOYSA-N
XLogP21.10
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001198.09
LogP ≤ 521.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine (CID 135130813) is 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2c(-c3c(F)c(F)c(F)c(F)c3F)c(N3c4ccccc4C(C)(C)c4ccccc43)c(-c3c(F)c(F)c(F)c(F)c3F)c(N3c4ccccc4C(C)(C)c4ccccc43)c2-c2c(F)c(F)c(F)c(F)c2F)c2ccccc21.
What is the InChIKey of 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine?
The InChIKey is UBWWSEBONWEBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42F15N3/c1-67(2)31-19-7-13-25-37(31)85(38-26-14-8-20-32(38)67)64-46(43-49(70)55(76)61(82)56(77)50(43)71)65(86-39-27-15-9-21-33(39)68(3,4)34-22-10-16-28-40(34)86)48(45-53(74)59(80)63(84)60(81)54(45)75)66(47(64)44-51(72)57(78)62(83)58(79)52(44)73)87-41-29-17-11-23-35(41)69(5,6)36-24-12-18-30-42(36)87/h7-30H,1-6H3.
What are the key properties of 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine?
10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine has a molecular weight of 1198.09 g/mol, XLogP of 21.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 135130813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).