12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene

C57H34O2 — CID 170035516

IUPAC12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc5c6c(cccc46)-c4cc(-c6cccc7oc8cc9ccccc9cc8c67)ccc4O5)cccc32)cc1
InChIInChI=1S/C57H34O2/c1-3-16-38(17-4-1)57(39-18-5-2-6-19-39)48-25-10-9-20-45(48)54-42(24-12-26-49(54)57)41-29-31-52-56-43(41)22-11-23-44(56)46-33-37(28-30-50(46)58-52)40-21-13-27-51-55(40)47-32-35-14-7-8-15-36(35)34-53(47)59-51/h1-34H
InChIKeyDWYQFVNCSHKKBO-UHFFFAOYSA-N
MW750.90 g/mol
LogP15.36
Rot. Bonds4

About 12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene

12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene (PubChem CID 170035516) has the molecular formula C57H34O2 and a molecular weight of 750.90 g/mol. Its IUPAC name is 12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene.

Molecular Properties

Compound Name12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
PubChem CID170035516
Molecular FormulaC57H34O2
Molecular Weight750.90 g/mol
Exact Mass750.26
IUPAC Name12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc5c6c(cccc46)-c4cc(-c6cccc7oc8cc9ccccc9cc8c67)ccc4O5)cccc32)cc1
InChIInChI=1S/C57H34O2/c1-3-16-38(17-4-1)57(39-18-5-2-6-19-39)48-25-10-9-20-45(48)54-42(24-12-26-49(54)57)41-29-31-52-56-43(41)22-11-23-44(56)46-33-37(28-30-50(46)58-52)40-21-13-27-51-55(40)47-32-35-14-7-8-15-36(35)34-53(47)59-51/h1-34H
InChIKeyDWYQFVNCSHKKBO-UHFFFAOYSA-N
XLogP15.36
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.90
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-dibenzofuran-1-yl-4-(9,9-diphenylfluoren-4-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170035361
12-naphtho[2,3-b][1]benzofuran-1-yl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170033790
4-dibenzofuran-2-yl-12-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170035915
4-naphtho[1,2-b][1]benzofuran-7-yl-12-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170035913
1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177297871
12-[4-(9,9-diphenylfluoren-4-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170030507
4-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170050139
1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177299030
16-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl-12-oxapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 177126818
4-dibenzofuran-2-yl-12-(9,9'-spirobi[fluorene]-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170034325
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002837
12-dibenzofuran-1-yl-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170036540

Frequently Asked Questions

What is the IUPAC name of 12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene?
The IUPAC name of 12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene (CID 170035516) is 12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene.
What is the SMILES notation for 12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene?
The canonical SMILES for 12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc5c6c(cccc46)-c4cc(-c6cccc7oc8cc9ccccc9cc8c67)ccc4O5)cccc32)cc1.
What is the InChIKey of 12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene?
The InChIKey is DWYQFVNCSHKKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34O2/c1-3-16-38(17-4-1)57(39-18-5-2-6-19-39)48-25-10-9-20-45(48)54-42(24-12-26-49(54)57)41-29-31-52-56-43(41)22-11-23-44(56)46-33-37(28-30-50(46)58-52)40-21-13-27-51-55(40)47-32-35-14-7-8-15-36(35)34-53(47)59-51/h1-34H.
What are the key properties of 12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene?
12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene has a molecular weight of 750.90 g/mol, XLogP of 15.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9,9-diphenylfluoren-4-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene is sourced from PubChem (CID 170035516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).