12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

C43H24O3 — CID 163925926

IUPAC12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1cc(-c2c3c(cc4c2oc2ccccc24)-c2ccccc2C3)cc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)c1
InChIInChI=1S/C43H24O3/c1-2-13-27-24(10-1)21-32-31(27)22-33-28-14-3-6-17-36(28)44-41(33)39(32)25-11-9-12-26(20-25)40-42-34(29-15-4-7-18-37(29)45-42)23-35-30-16-5-8-19-38(30)46-43(35)40/h1-20,22-23H,21H2
InChIKeyREMAYHBIYQWYSY-UHFFFAOYSA-N
MW588.66 g/mol
LogP12.29
Rot. Bonds2

About 12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 163925926) has the molecular formula C43H24O3 and a molecular weight of 588.66 g/mol. Its IUPAC name is 12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID163925926
Molecular FormulaC43H24O3
Molecular Weight588.66 g/mol
Exact Mass588.17
IUPAC Name12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1cc(-c2c3c(cc4c2oc2ccccc24)-c2ccccc2C3)cc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)c1
InChIInChI=1S/C43H24O3/c1-2-13-27-24(10-1)21-32-31(27)22-33-28-14-3-6-17-36(28)44-41(33)39(32)25-11-9-12-26(20-25)40-42-34(29-15-4-7-18-37(29)45-42)23-35-30-16-5-8-19-38(30)46-43(35)40/h1-20,22-23H,21H2
InChIKeyREMAYHBIYQWYSY-UHFFFAOYSA-N
XLogP12.29
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.66
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Related Compounds

dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 88568798
32-oxaheptacyclo[20.11.0.02,7.09,14.015,20.025,33.026,31]tritriaconta-1(22),2,4,6,9,11,13,15,17,19,23,25(33),26,28,30-pentadecaene
CID 155110020
4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine
CID 164945010
7H-fluoreno[4,3-b][1]benzofuran
CID 122434421
4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155333147
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 138548317
4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 155609485
N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine
CID 166134830
16-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185277
6-[3-[10-(5-methyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-12H-fluoreno[2,1-b][1]benzofuran
CID 144583605
11-[3-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 163923293

Frequently Asked Questions

What is the IUPAC name of 12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 163925926) is 12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is c1cc(-c2c3c(cc4c2oc2ccccc24)-c2ccccc2C3)cc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)c1.
What is the InChIKey of 12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is REMAYHBIYQWYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24O3/c1-2-13-27-24(10-1)21-32-31(27)22-33-28-14-3-6-17-36(28)44-41(33)39(32)25-11-9-12-26(20-25)40-42-34(29-15-4-7-18-37(29)45-42)23-35-30-16-5-8-19-38(30)46-43(35)40/h1-20,22-23H,21H2.
What are the key properties of 12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?
12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 588.66 g/mol, XLogP of 12.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(7H-fluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 163925926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).