2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole

C120H84N4O2 — CID 161460289

IUPAC2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc6c7ccccc7c7ccccc7c6o5)cc4)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5c4n3)cc21
InChIInChI=1S/C64H44N2O.C56H40N2O/c1-63(2)54-23-13-11-18-44(54)46-31-29-39(33-56(46)63)51-35-53-52(37-25-27-38(28-26-37)62-66-60-49-21-9-5-15-41(49)42-16-7-10-22-50(42)61(60)67-62)36-58(65-59(53)48-20-8-6-17-43(48)51)40-30-32-47-45-19-12-14-24-55(45)64(3,4)57(47)34-40;1-55(2)46-17-9-7-14-38(46)40-27-25-35(29-48(40)55)43-31-45-44(33-21-23-34(24-22-33)54-58-50-19-11-12-20-52(50)59-54)32-51(57-53(45)42-16-6-5-13-37(42)43)36-26-28-41-39-15-8-10-18-47(39)56(3,4)49(41)30-36/h5-36H,1-4H3;5-32H,1-4H3
InChIKeyWBRYYOSNPSEMJN-UHFFFAOYSA-N
MW1614.02 g/mol
LogP31.93
Rot. Bonds8

About 2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole

2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole (PubChem CID 161460289) has the molecular formula C120H84N4O2 and a molecular weight of 1614.02 g/mol. Its IUPAC name is 2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole.

Molecular Properties

Compound Name2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole
PubChem CID161460289
Molecular FormulaC120H84N4O2
Molecular Weight1614.02 g/mol
Exact Mass1612.66
IUPAC Name2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc6c7ccccc7c7ccccc7c6o5)cc4)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5c4n3)cc21
InChIInChI=1S/C64H44N2O.C56H40N2O/c1-63(2)54-23-13-11-18-44(54)46-31-29-39(33-56(46)63)51-35-53-52(37-25-27-38(28-26-37)62-66-60-49-21-9-5-15-41(49)42-16-7-10-22-50(42)61(60)67-62)36-58(65-59(53)48-20-8-6-17-43(48)51)40-30-32-47-45-19-12-14-24-55(45)64(3,4)57(47)34-40;1-55(2)46-17-9-7-14-38(46)40-27-25-35(29-48(40)55)43-31-45-44(33-21-23-34(24-22-33)54-58-50-19-11-12-20-52(50)59-54)32-51(57-53(45)42-16-6-5-13-37(42)43)36-26-28-41-39-15-8-10-18-47(39)56(3,4)49(41)30-36/h5-36H,1-4H3;5-32H,1-4H3
InChIKeyWBRYYOSNPSEMJN-UHFFFAOYSA-N
XLogP31.93
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001614.02
LogP ≤ 531.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519
2,6-bis(9,9-dimethylfluoren-2-yl)-4-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958731
2-[4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole
CID 70958718
2-[4-[4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 70829972
2-[3-(1,3-benzoxazol-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1,3-benzoxazole
CID 164803998
4,6-bis(9,9-dimethylfluoren-2-yl)-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline
CID 70836389
2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole
CID 67888489
2-[3-(1,3-benzoxazol-2-yl)-5-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803799
2-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59227970
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)benzo[h]quinoline
CID 70836427
2-[4-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-benzoxazole
CID 164803943
2-[4-(14-fluoranthen-3-yl-10,10-dimethyl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1,3-benzoxazole
CID 58411924

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole?
The IUPAC name of 2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole (CID 161460289) is 2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole.
What is the SMILES notation for 2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole?
The canonical SMILES for 2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc6c7ccccc7c7ccccc7c6o5)cc4)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5c4n3)cc21.
What is the InChIKey of 2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole?
The InChIKey is WBRYYOSNPSEMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2O.C56H40N2O/c1-63(2)54-23-13-11-18-44(54)46-31-29-39(33-56(46)63)51-35-53-52(37-25-27-38(28-26-37)62-66-60-49-21-9-5-15-41(49)42-16-7-10-22-50(42)61(60)67-62)36-58(65-59(53)48-20-8-6-17-43(48)51)40-30-32-47-45-19-12-14-24-55(45)64(3,4)57(47)34-40;1-55(2)46-17-9-7-14-38(46)40-27-25-35(29-48(40)55)43-31-45-44(33-21-23-34(24-22-33)54-58-50-19-11-12-20-52(50)59-54)32-51(57-53(45)42-16-6-5-13-37(42)43)36-26-28-41-39-15-8-10-18-47(39)56(3,4)49(41)30-36/h5-36H,1-4H3;5-32H,1-4H3.
What are the key properties of 2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole?
2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole has a molecular weight of 1614.02 g/mol, XLogP of 31.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole is sourced from PubChem (CID 161460289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).