9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole

C64H34F12N4 — CID 59357194

IUPAC9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3ccc(-c4ccccc4)cn3)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3ccc(-c4ccccc4)cn3)c2c1
InChIInChI=1S/C64H34F12N4/c65-61(66,67)39-13-23-55-47(27-39)48-28-40(62(68,69)70)14-24-56(48)79(55)43-18-20-46-51(31-43)59(53-21-11-37(33-77-53)35-7-3-1-4-8-35)45-19-17-44(32-52(45)60(46)54-22-12-38(34-78-54)36-9-5-2-6-10-36)80-57-25-15-41(63(71,72)73)29-49(57)50-30-42(64(74,75)76)16-26-58(50)80/h1-34H
InChIKeyQNTMRGMUHMNCQY-UHFFFAOYSA-N
MW1086.98 g/mol
LogP19.72
Rot. Bonds6

About 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole

9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 59357194) has the molecular formula C64H34F12N4 and a molecular weight of 1086.98 g/mol. Its IUPAC name is 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
PubChem CID59357194
Molecular FormulaC64H34F12N4
Molecular Weight1086.98 g/mol
Exact Mass1086.26
IUPAC Name9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3ccc(-c4ccccc4)cn3)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3ccc(-c4ccccc4)cn3)c2c1
InChIInChI=1S/C64H34F12N4/c65-61(66,67)39-13-23-55-47(27-39)48-28-40(62(68,69)70)14-24-56(48)79(55)43-18-20-46-51(31-43)59(53-21-11-37(33-77-53)35-7-3-1-4-8-35)45-19-17-44(32-52(45)60(46)54-22-12-38(34-78-54)36-9-5-2-6-10-36)80-57-25-15-41(63(71,72)73)29-49(57)50-30-42(64(74,75)76)16-26-58(50)80/h1-34H
InChIKeyQNTMRGMUHMNCQY-UHFFFAOYSA-N
XLogP19.72
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.98
LogP ≤ 519.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole (CID 59357194) is 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3ccc(-c4ccccc4)cn3)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3ccc(-c4ccccc4)cn3)c2c1.
What is the InChIKey of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The InChIKey is QNTMRGMUHMNCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34F12N4/c65-61(66,67)39-13-23-55-47(27-39)48-28-40(62(68,69)70)14-24-56(48)79(55)43-18-20-46-51(31-43)59(53-21-11-37(33-77-53)35-7-3-1-4-8-35)45-19-17-44(32-52(45)60(46)54-22-12-38(34-78-54)36-9-5-2-6-10-36)80-57-25-15-41(63(71,72)73)29-49(57)50-30-42(64(74,75)76)16-26-58(50)80/h1-34H.
What are the key properties of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 1086.98 g/mol, XLogP of 19.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-bis(5-phenyl-2-pyridinyl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 59357194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).