2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole

C39H22N2O2 — CID 171755384

IUPAC2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole
SMILESc1ccc2c(c1)cc(-n1c3ccccc3c3c4ccccc4ccc31)c1c3ccc(-c4nc5ccccc5o4)cc3oc21
InChIInChI=1S/C39H22N2O2/c1-3-11-26-23(9-1)18-20-32-36(26)28-13-5-7-15-31(28)41(32)33-21-24-10-2-4-12-27(24)38-37(33)29-19-17-25(22-35(29)42-38)39-40-30-14-6-8-16-34(30)43-39/h1-22H
InChIKeyHPQJANRMYXFIEM-UHFFFAOYSA-N
MW550.62 g/mol
LogP10.80
Rot. Bonds2

About 2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole

2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole (PubChem CID 171755384) has the molecular formula C39H22N2O2 and a molecular weight of 550.62 g/mol. Its IUPAC name is 2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole
PubChem CID171755384
Molecular FormulaC39H22N2O2
Molecular Weight550.62 g/mol
Exact Mass550.17
IUPAC Name2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole
SMILESc1ccc2c(c1)cc(-n1c3ccccc3c3c4ccccc4ccc31)c1c3ccc(-c4nc5ccccc5o4)cc3oc21
InChIInChI=1S/C39H22N2O2/c1-3-11-26-23(9-1)18-20-32-36(26)28-13-5-7-15-31(28)41(32)33-21-24-10-2-4-12-27(24)38-37(33)29-19-17-25(22-35(29)42-38)39-40-30-14-6-8-16-34(30)43-39/h1-22H
InChIKeyHPQJANRMYXFIEM-UHFFFAOYSA-N
XLogP10.80
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.62
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole
CID 46187140
2-[9-(1-phenylbenzo[c]carbazol-7-yl)naphtho[1,2-b][1]benzofuran-8-yl]-1,3-benzoxazole
CID 171755372
2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole
CID 171754651
2-[6-[4-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)naphthalen-2-yl]-6-[6-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole;2-[6-[4-(6-benzo[c]carbazol-7-ylnaphthalen-2-yl)-6-[6-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole;2-[4-[4-(6-benzo[c]carbazol-7-ylnaphthalen-2-yl)-6-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 159183156
2-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 174338571
2-[6-(1,3-benzoxazol-2-yl)-9-(3-pyrimidin-2-ylnaphthalen-2-yl)carbazol-3-yl]-1,3-benzoxazole
CID 155366220
7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
CID 162501371
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[6-[4-[6-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole;2-[6-[4-[6-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[4-(5-phenylbenzo[b]carbazol-2-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole;2-[6-[4-[6-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(7-phenylbenzo[c]carbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole;2-[6-[4-[6-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
CID 157287840
8-[3,6-bis(1,3-benzoxazol-2-yl)carbazol-9-yl]anthracene-1-carbonitrile
CID 171431193
2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-1,3-benzoxazole;2-[9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole;2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole;2-[9-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 160699885
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-10-phenylbenzo[c]carbazole
CID 164847819

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole?
The IUPAC name of 2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole (CID 171755384) is 2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole is c1ccc2c(c1)cc(-n1c3ccccc3c3c4ccccc4ccc31)c1c3ccc(-c4nc5ccccc5o4)cc3oc21.
What is the InChIKey of 2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole?
The InChIKey is HPQJANRMYXFIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N2O2/c1-3-11-26-23(9-1)18-20-32-36(26)28-13-5-7-15-31(28)41(32)33-21-24-10-2-4-12-27(24)38-37(33)29-19-17-25(22-35(29)42-38)39-40-30-14-6-8-16-34(30)43-39/h1-22H.
What are the key properties of 2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole?
2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole has a molecular weight of 550.62 g/mol, XLogP of 10.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole is sourced from PubChem (CID 171755384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).