6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran

C44H32O2 — CID 176777680

IUPAC6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc2c(C3CCC(c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5oc6ccccc6c45)CC3)cccc2c1
InChIInChI=1S/C44H32O2/c1-2-12-31-27(10-1)11-9-17-32(31)28-20-22-29(23-21-28)41-35-14-3-4-15-36(35)42(44-43(41)37-16-6-8-19-39(37)46-44)30-24-25-34-33-13-5-7-18-38(33)45-40(34)26-30/h1-19,24-26,28-29H,20-23H2
InChIKeyBULZJWGPUDIDKQ-UHFFFAOYSA-N
MW592.74 g/mol
LogP12.90
Rot. Bonds3

About 6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran

6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran (PubChem CID 176777680) has the molecular formula C44H32O2 and a molecular weight of 592.74 g/mol. Its IUPAC name is 6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran
PubChem CID176777680
Molecular FormulaC44H32O2
Molecular Weight592.74 g/mol
Exact Mass592.24
IUPAC Name6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran
SMILESc1ccc2c(C3CCC(c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5oc6ccccc6c45)CC3)cccc2c1
InChIInChI=1S/C44H32O2/c1-2-12-31-27(10-1)11-9-17-32(31)28-20-22-29(23-21-28)41-35-14-3-4-15-36(35)42(44-43(41)37-16-6-8-19-39(37)46-44)30-24-25-34-33-13-5-7-18-38(33)45-40(34)26-30/h1-19,24-26,28-29H,20-23H2
InChIKeyBULZJWGPUDIDKQ-UHFFFAOYSA-N
XLogP12.90
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.74
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

17-(10-naphthalen-1-ylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122415718
6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 122425709
7-[4-[4-[10-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)anthracen-9-yl]phenyl]phenyl]-17-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 163682165
11-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)naphtho[2,3-b][1]benzofuran
CID 176777646
7-(10-naphthalen-1-ylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425860
6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 163929828
6-dibenzofuran-1-yl-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777808
7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314427
9-(1,2,3,4,5,6,7,8-octadeuterio-10-dibenzofuran-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 153436552
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
6-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122426775
6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 163460893

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran (CID 176777680) is 6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran is c1ccc2c(C3CCC(c4c5ccccc5c(-c5ccc6c(c5)oc5ccccc56)c5oc6ccccc6c45)CC3)cccc2c1.
What is the InChIKey of 6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran?
The InChIKey is BULZJWGPUDIDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32O2/c1-2-12-31-27(10-1)11-9-17-32(31)28-20-22-29(23-21-28)41-35-14-3-4-15-36(35)42(44-43(41)37-16-6-8-19-39(37)46-44)30-24-25-34-33-13-5-7-18-38(33)45-40(34)26-30/h1-19,24-26,28-29H,20-23H2.
What are the key properties of 6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran?
6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran has a molecular weight of 592.74 g/mol, XLogP of 12.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-3-yl-11-(4-naphthalen-1-ylcyclohexyl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 176777680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).