4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole

C46H43N5O2 — CID 135250198

IUPAC4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole
SMILESCC1(C)N=C(c2ccc(-c3ccc4c(ccc5c6ccc(-c7ccc(C8=NC(C)(C)C(C)(C)O8)nc7)cc6n(-c6ccccc6)c45)c3)cn2)OC1(C)C
InChIInChI=1S/C46H43N5O2/c1-43(2)45(5,6)52-41(49-43)37-22-17-31(26-47-37)28-14-19-34-30(24-28)16-21-36-35-20-15-29(25-39(35)51(40(34)36)33-12-10-9-11-13-33)32-18-23-38(48-27-32)42-50-44(3,4)46(7,8)53-42/h9-27H,1-8H3
InChIKeyIWPPHEDZQHKQLO-UHFFFAOYSA-N
MW697.88 g/mol
LogP10.73
Rot. Bonds5

About 4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole

4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole (PubChem CID 135250198) has the molecular formula C46H43N5O2 and a molecular weight of 697.88 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole
PubChem CID135250198
Molecular FormulaC46H43N5O2
Molecular Weight697.88 g/mol
Exact Mass697.34
IUPAC Name4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole
SMILESCC1(C)N=C(c2ccc(-c3ccc4c(ccc5c6ccc(-c7ccc(C8=NC(C)(C)C(C)(C)O8)nc7)cc6n(-c6ccccc6)c45)c3)cn2)OC1(C)C
InChIInChI=1S/C46H43N5O2/c1-43(2)45(5,6)52-41(49-43)37-22-17-31(26-47-37)28-14-19-34-30(24-28)16-21-36-35-20-15-29(25-39(35)51(40(34)36)33-12-10-9-11-13-33)32-18-23-38(48-27-32)42-50-44(3,4)46(7,8)53-42/h9-27H,1-8H3
InChIKeyIWPPHEDZQHKQLO-UHFFFAOYSA-N
XLogP10.73
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.88
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole (CID 135250198) is 4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole is CC1(C)N=C(c2ccc(-c3ccc4c(ccc5c6ccc(-c7ccc(C8=NC(C)(C)C(C)(C)O8)nc7)cc6n(-c6ccccc6)c45)c3)cn2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole?
The InChIKey is IWPPHEDZQHKQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H43N5O2/c1-43(2)45(5,6)52-41(49-43)37-22-17-31(26-47-37)28-14-19-34-30(24-28)16-21-36-35-20-15-29(25-39(35)51(40(34)36)33-12-10-9-11-13-33)32-18-23-38(48-27-32)42-50-44(3,4)46(7,8)53-42/h9-27H,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole?
4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole has a molecular weight of 697.88 g/mol, XLogP of 10.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[5-[11-phenyl-3-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]benzo[a]carbazol-9-yl]-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 135250198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).