2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole

C39H22N2O2 — CID 171754651

IUPAC2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2oc3cc(-c4nc5ccccc5o4)ccc3c2c2ccccc12
InChIInChI=1S/C39H22N2O2/c1-2-10-24-20-33-30(19-23(24)9-1)27-12-5-7-15-32(27)41(33)34-22-37-38(28-13-4-3-11-26(28)34)29-18-17-25(21-36(29)42-37)39-40-31-14-6-8-16-35(31)43-39/h1-22H
InChIKeyZAEYGTLJOFHMPQ-UHFFFAOYSA-N
MW550.62 g/mol
LogP10.80
Rot. Bonds2

About 2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole

2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole (PubChem CID 171754651) has the molecular formula C39H22N2O2 and a molecular weight of 550.62 g/mol. Its IUPAC name is 2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole
PubChem CID171754651
Molecular FormulaC39H22N2O2
Molecular Weight550.62 g/mol
Exact Mass550.17
IUPAC Name2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2oc3cc(-c4nc5ccccc5o4)ccc3c2c2ccccc12
InChIInChI=1S/C39H22N2O2/c1-2-10-24-20-33-30(19-23(24)9-1)27-12-5-7-15-32(27)41(33)34-22-37-38(28-13-4-3-11-26(28)34)29-18-17-25(21-36(29)42-37)39-40-31-14-6-8-16-35(31)43-39/h1-22H
InChIKeyZAEYGTLJOFHMPQ-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

5-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163768078
5-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163539451
2-[5-(23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)naphtho[2,1-b][1]benzofuran-10-yl]-1,3-benzoxazole
CID 171754197
2-[3-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)oxyphenyl]-1,3-benzoxazole
CID 171754336
5-[10-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163845474
2-[3-(8-carbazol-9-ylnaphthalen-2-yl)phenyl]-1,3-benzoxazole
CID 46187140
2-(6-benzo[c]carbazol-7-ylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3-benzoxazole
CID 171755384
2-[9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 156661248
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
5-(3-chlorodibenzofuran-1-yl)benzo[b]carbazole
CID 164847899
2-[9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 153087373
12-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-5-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 163464908

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole?
The IUPAC name of 2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole (CID 171754651) is 2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc2oc3cc(-c4nc5ccccc5o4)ccc3c2c2ccccc12.
What is the InChIKey of 2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole?
The InChIKey is ZAEYGTLJOFHMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N2O2/c1-2-10-24-20-33-30(19-23(24)9-1)27-12-5-7-15-32(27)41(33)34-22-37-38(28-13-4-3-11-26(28)34)29-18-17-25(21-36(29)42-37)39-40-31-14-6-8-16-35(31)43-39/h1-22H.
What are the key properties of 2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole?
2-(5-benzo[b]carbazol-5-ylnaphtho[2,1-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-(5-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3-benzoxazole is sourced from PubChem (CID 171754651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).