4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole

C48H44N6O2 — CID 135250364

IUPAC4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole
SMILESCC1(C)N=C(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C6=NC(C)(C)C(C)(C)O6)nc5)ccc43)cn2)OC1(C)C
InChIInChI=1S/C48H44N6O2/c1-45(2)47(5,6)55-43(51-45)37-21-19-31(27-49-37)53-39-15-11-9-13-33(39)35-25-29(17-23-41(35)53)30-18-24-42-36(26-30)34-14-10-12-16-40(34)54(42)32-20-22-38(50-28-32)44-52-46(3,4)48(7,8)56-44/h9-28H,1-8H3
InChIKeyKCQNIOATMQWXKX-UHFFFAOYSA-N
MW736.92 g/mol
LogP11.01
Rot. Bonds5

About 4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole

4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole (PubChem CID 135250364) has the molecular formula C48H44N6O2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole
PubChem CID135250364
Molecular FormulaC48H44N6O2
Molecular Weight736.92 g/mol
Exact Mass736.35
IUPAC Name4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole
SMILESCC1(C)N=C(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C6=NC(C)(C)C(C)(C)O6)nc5)ccc43)cn2)OC1(C)C
InChIInChI=1S/C48H44N6O2/c1-45(2)47(5,6)55-43(51-45)37-21-19-31(27-49-37)53-39-15-11-9-13-33(39)35-25-29(17-23-41(35)53)30-18-24-42-36(26-30)34-14-10-12-16-40(34)54(42)32-20-22-38(50-28-32)44-52-46(3,4)48(7,8)56-44/h9-28H,1-8H3
InChIKeyKCQNIOATMQWXKX-UHFFFAOYSA-N
XLogP11.01
TPSA78.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole with MolForge

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Related Compounds

2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole
CID 135250368
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 118699054
2-[5-[5-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]-3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135252958
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163560758
2-[5-[3-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250365
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
2-[5-[3-[9-[6-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[3-[9-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]-3-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-2-pyridinyl]carbazol-3-yl]carbazole;9-[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]-3-[9-[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-2-pyridinyl]carbazol-3-yl]carbazole
CID 161485510
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole (CID 135250364) is 4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole is CC1(C)N=C(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(C6=NC(C)(C)C(C)(C)O6)nc5)ccc43)cn2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole?
The InChIKey is KCQNIOATMQWXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44N6O2/c1-45(2)47(5,6)55-43(51-45)37-21-19-31(27-49-37)53-39-15-11-9-13-33(39)35-25-29(17-23-41(35)53)30-18-24-42-36(26-30)34-14-10-12-16-40(34)54(42)32-20-22-38(50-28-32)44-52-46(3,4)48(7,8)56-44/h9-28H,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole?
4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole has a molecular weight of 736.92 g/mol, XLogP of 11.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[5-[3-[9-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 135250364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).