5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole

C41H22N2O3 — CID 167453334

IUPAC5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2cc(-c3cc4nc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)oc4c4c3oc3ccccc34)ccc2c1
InChIInChI=1S/C41H22N2O3/c1-2-10-24-21-25(18-17-23(24)9-1)30-22-31-40(37-29-13-5-8-16-35(29)45-39(30)37)46-41(42-31)43-32-14-6-3-12-28(32)36-33(43)20-19-27-26-11-4-7-15-34(26)44-38(27)36/h1-22H
InChIKeyFDTXYDGGZDBOJN-UHFFFAOYSA-N
MW590.64 g/mol
LogP11.54
Rot. Bonds2

About 5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole

5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 167453334) has the molecular formula C41H22N2O3 and a molecular weight of 590.64 g/mol. Its IUPAC name is 5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID167453334
Molecular FormulaC41H22N2O3
Molecular Weight590.64 g/mol
Exact Mass590.16
IUPAC Name5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2cc(-c3cc4nc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)oc4c4c3oc3ccccc34)ccc2c1
InChIInChI=1S/C41H22N2O3/c1-2-10-24-21-25(18-17-23(24)9-1)30-22-31-40(37-29-13-5-8-16-35(29)45-39(30)37)46-41(42-31)43-32-14-6-3-12-28(32)36-33(43)20-19-27-26-11-4-7-15-34(26)44-38(27)36/h1-22H
InChIKeyFDTXYDGGZDBOJN-UHFFFAOYSA-N
XLogP11.54
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.64
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzo[c]carbazol-7-yl-4-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167453250
10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 126679505
4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 135164574
15-naphthalen-1-yl-24-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126679615
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
5-(5-quinazolin-2-yl-1,3-benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 139422404
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
15-naphthalen-2-yl-18-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 140957425
18-naphthalen-2-yl-15-(4-naphthalen-2-ylquinazolin-2-yl)-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126679343
2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole
CID 177074713
5-[2-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 162500626
5-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 155485303

Frequently Asked Questions

What is the IUPAC name of 5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole (CID 167453334) is 5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole is c1ccc2cc(-c3cc4nc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)oc4c4c3oc3ccccc34)ccc2c1.
What is the InChIKey of 5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is FDTXYDGGZDBOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H22N2O3/c1-2-10-24-21-25(18-17-23(24)9-1)30-22-31-40(37-29-13-5-8-16-35(29)45-39(30)37)46-41(42-31)43-32-14-6-3-12-28(32)36-33(43)20-19-27-26-11-4-7-15-34(26)44-38(27)36/h1-22H.
What are the key properties of 5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 590.64 g/mol, XLogP of 11.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-naphthalen-2-yl-[1]benzofuro[2,3-g][1,3]benzoxazol-2-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 167453334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).