2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole

C41H26N2O2 — CID 167453356

IUPAC2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
SMILESc1ccc(-c2cc3c(c4c2oc2ccccc24)NC(c2ccc(-n4c5ccccc5c5ccccc54)c4ccccc24)O3)cc1
InChIInChI=1S/C41H26N2O2/c1-2-12-25(13-3-1)32-24-37-39(38-31-18-8-11-21-36(31)44-40(32)38)42-41(45-37)30-22-23-35(27-15-5-4-14-26(27)30)43-33-19-9-6-16-28(33)29-17-7-10-20-34(29)43/h1-24,41-42H
InChIKeyMBCXQTYZTHLFLT-UHFFFAOYSA-N
MW578.67 g/mol
LogP11.01
Rot. Bonds3

About 2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole

2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole (PubChem CID 167453356) has the molecular formula C41H26N2O2 and a molecular weight of 578.67 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
PubChem CID167453356
Molecular FormulaC41H26N2O2
Molecular Weight578.67 g/mol
Exact Mass578.20
IUPAC Name2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
SMILESc1ccc(-c2cc3c(c4c2oc2ccccc24)NC(c2ccc(-n4c5ccccc5c5ccccc54)c4ccccc24)O3)cc1
InChIInChI=1S/C41H26N2O2/c1-2-12-25(13-3-1)32-24-37-39(38-31-18-8-11-21-36(31)44-40(32)38)42-41(45-37)30-22-23-35(27-15-5-4-14-26(27)30)43-33-19-9-6-16-28(33)29-17-7-10-20-34(29)43/h1-24,41-42H
InChIKeyMBCXQTYZTHLFLT-UHFFFAOYSA-N
XLogP11.01
TPSA39.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.67
LogP ≤ 511.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzo[c]carbazol-7-ylnaphthalen-1-yl)-5-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167454438
2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453325
5-naphthalen-2-yl-2-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167454078
4-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 58510780
2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-phenanthren-9-yl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167453201
9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole
CID 59147563
2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453052
4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole
CID 146490407
3-(9-phenylcarbazol-3-yl)-9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 162489014
3-bromo-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 146490414
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603774

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The IUPAC name of 2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole (CID 167453356) is 2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole.
What is the SMILES notation for 2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The canonical SMILES for 2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole is c1ccc(-c2cc3c(c4c2oc2ccccc24)NC(c2ccc(-n4c5ccccc5c5ccccc54)c4ccccc24)O3)cc1.
What is the InChIKey of 2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The InChIKey is MBCXQTYZTHLFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O2/c1-2-12-25(13-3-1)32-24-37-39(38-31-18-8-11-21-36(31)44-40(32)38)42-41(45-37)30-22-23-35(27-15-5-4-14-26(27)30)43-33-19-9-6-16-28(33)29-17-7-10-20-34(29)43/h1-24,41-42H.
What are the key properties of 2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole has a molecular weight of 578.67 g/mol, XLogP of 11.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole is sourced from PubChem (CID 167453356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).