9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole

C60H30F12N4 — CID 59357140

IUPAC9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3nccc4ccccc34)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3nccc4ccccc34)c2c1
InChIInChI=1S/C60H30F12N4/c61-57(62,63)33-9-17-49-43(25-33)44-26-34(58(64,65)66)10-18-50(44)75(49)37-14-16-42-47(29-37)53(55-39-7-3-1-5-31(39)21-23-73-55)41-15-13-38(30-48(41)54(42)56-40-8-4-2-6-32(40)22-24-74-56)76-51-19-11-35(59(67,68)69)27-45(51)46-28-36(60(70,71)72)12-20-52(46)76/h1-30H
InChIKeyKOHICCAUPYTWRY-UHFFFAOYSA-N
MW1034.90 g/mol
LogP18.69
Rot. Bonds4

About 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole

9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 59357140) has the molecular formula C60H30F12N4 and a molecular weight of 1034.90 g/mol. Its IUPAC name is 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
PubChem CID59357140
Molecular FormulaC60H30F12N4
Molecular Weight1034.90 g/mol
Exact Mass1034.23
IUPAC Name9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3nccc4ccccc34)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3nccc4ccccc34)c2c1
InChIInChI=1S/C60H30F12N4/c61-57(62,63)33-9-17-49-43(25-33)44-26-34(58(64,65)66)10-18-50(44)75(49)37-14-16-42-47(29-37)53(55-39-7-3-1-5-31(39)21-23-73-55)41-15-13-38(30-48(41)54(42)56-40-8-4-2-6-32(40)22-24-74-56)76-51-19-11-35(59(67,68)69)27-45(51)46-28-36(60(70,71)72)12-20-52(46)76/h1-30H
InChIKeyKOHICCAUPYTWRY-UHFFFAOYSA-N
XLogP18.69
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.90
LogP ≤ 518.69
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-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole (CID 59357140) is 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)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-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc2c(-c3nccc4ccccc34)c3cc(-n4c5ccc(C(F)(F)F)cc5c5cc(C(F)(F)F)ccc54)ccc3c(-c3nccc4ccccc34)c2c1.
What is the InChIKey of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
The InChIKey is KOHICCAUPYTWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H30F12N4/c61-57(62,63)33-9-17-49-43(25-33)44-26-34(58(64,65)66)10-18-50(44)75(49)37-14-16-42-47(29-37)53(55-39-7-3-1-5-31(39)21-23-73-55)41-15-13-38(30-48(41)54(42)56-40-8-4-2-6-32(40)22-24-74-56)76-51-19-11-35(59(67,68)69)27-45(51)46-28-36(60(70,71)72)12-20-52(46)76/h1-30H.
What are the key properties of 9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole?
9-[6-[3,6-bis(trifluoromethyl)carbazol-9-yl]-9,10-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 1034.90 g/mol, XLogP of 18.69, 4 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-di(isoquinolin-1-yl)anthracen-2-yl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 59357140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).