4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole

C44H35N3O — CID 135249789

IUPAC4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole
SMILESCC1(C)N=C(c2ccc(-c3cc4c(c5ccccc35)c3ccc(-c5ccc6ccccc6c5)cc3n4-c3ccccc3)cn2)OC1(C)C
InChIInChI=1S/C44H35N3O/c1-43(2)44(3,4)48-42(46-43)38-23-21-32(27-45-38)37-26-40-41(35-17-11-10-16-34(35)37)36-22-20-31(25-39(36)47(40)33-14-6-5-7-15-33)30-19-18-28-12-8-9-13-29(28)24-30/h5-27H,1-4H3
InChIKeyQFAQZVGXMOEJIP-UHFFFAOYSA-N
MW621.78 g/mol
LogP11.15
Rot. Bonds4

About 4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole

4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole (PubChem CID 135249789) has the molecular formula C44H35N3O and a molecular weight of 621.78 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole
PubChem CID135249789
Molecular FormulaC44H35N3O
Molecular Weight621.78 g/mol
Exact Mass621.28
IUPAC Name4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole
SMILESCC1(C)N=C(c2ccc(-c3cc4c(c5ccccc35)c3ccc(-c5ccc6ccccc6c5)cc3n4-c3ccccc3)cn2)OC1(C)C
InChIInChI=1S/C44H35N3O/c1-43(2)44(3,4)48-42(46-43)38-23-21-32(27-45-38)37-26-40-41(35-17-11-10-16-34(35)37)36-22-20-31(25-39(36)47(40)33-14-6-5-7-15-33)30-19-18-28-12-8-9-13-29(28)24-30/h5-27H,1-4H3
InChIKeyQFAQZVGXMOEJIP-UHFFFAOYSA-N
XLogP11.15
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.78
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-naphthalen-2-yl-7-phenyl-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[c]carbazole
CID 135249802
7-phenyl-5,9-bis(6-pyridin-2-yl-3-pyridinyl)benzo[c]carbazole
CID 141295897
5-[3-(6-methyl-2-pyridinyl)phenyl]-9-naphthalen-2-yl-7-phenylbenzo[c]carbazole
CID 118895360
5-[5-[9-naphthalen-1-yl-7-[6-(1,3-oxazol-5-yl)-3-pyridinyl]carbazol-2-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[9-naphthalen-1-yl-7-[6-(1,3-thiazol-5-yl)-3-pyridinyl]carbazol-2-yl]-2-pyridinyl]-1,3-thiazole;5-[5-[6-[6-(1,3-oxazol-5-yl)-3-pyridinyl]naphthalen-2-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[7-[6-(1,3-oxazol-5-yl)-3-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-oxazole;5-[5-[7-phenyl-9-[6-(1,3-thiazol-5-yl)-3-pyridinyl]benzo[c]carbazol-5-yl]-2-pyridinyl]-1,3-thiazole;5-[5-[9-phenyl-7-[6-(1,3-thiazol-5-yl)-3-pyridinyl]carbazol-2-yl]-2-pyridinyl]-1,3-thiazole;5-[5-[6-[6-(1,3-thiazol-5-yl)-3-pyridinyl]naphthalen-2-yl]-2-pyridinyl]-1,3-thiazole
CID 161107218
9-[6-(2-iodo-4,4,5,5-tetramethylimidazol-1-yl)-3-pyridinyl]-5-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7-phenylbenzo[c]carbazole
CID 135252956
2-[6-[9-[5-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-7-phenylbenzo[c]carbazol-5-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 135250126
7-naphthalen-1-yl-5,9-dinaphthalen-2-ylbenzo[c]carbazole
CID 163423913
5-phenyl-3-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]benzo[b]carbazole
CID 153144473
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3,9-bis(2-naphthalen-2-yl-4-pyridinyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 147270263
3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole
CID 147334824
2-naphthalen-2-yl-5-[2-(7-phenylbenzo[c]carbazol-5-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146539916

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole (CID 135249789) is 4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole is CC1(C)N=C(c2ccc(-c3cc4c(c5ccccc35)c3ccc(-c5ccc6ccccc6c5)cc3n4-c3ccccc3)cn2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole?
The InChIKey is QFAQZVGXMOEJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N3O/c1-43(2)44(3,4)48-42(46-43)38-23-21-32(27-45-38)37-26-40-41(35-17-11-10-16-34(35)37)36-22-20-31(25-39(36)47(40)33-14-6-5-7-15-33)30-19-18-28-12-8-9-13-29(28)24-30/h5-27H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole?
4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole has a molecular weight of 621.78 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 135249789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).