11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C51H32O — CID 177128059

IUPAC11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5O6)c5ccccc45)cc32)cc1
InChIInChI=1S/C51H32O/c1-3-15-36(16-4-1)51(37-17-5-2-6-18-37)46-24-11-9-21-42(46)43-27-26-33(31-47(43)51)38-28-29-39(41-20-8-7-19-40(38)41)35-30-34-14-13-23-45-44-22-10-12-25-48(44)52-49(32-35)50(34)45/h1-32H
InChIKeyHWIKEGYRBUXLAF-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.46
Rot. Bonds4

About 11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (PubChem CID 177128059) has the molecular formula C51H32O and a molecular weight of 660.82 g/mol. Its IUPAC name is 11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

Molecular Properties

Compound Name11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
PubChem CID177128059
Molecular FormulaC51H32O
Molecular Weight660.82 g/mol
Exact Mass660.25
IUPAC Name11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5O6)c5ccccc45)cc32)cc1
InChIInChI=1S/C51H32O/c1-3-15-36(16-4-1)51(37-17-5-2-6-18-37)46-24-11-9-21-42(46)43-27-26-33(31-47(43)51)38-28-29-39(41-20-8-7-19-40(38)41)35-30-34-14-13-23-45-44-22-10-12-25-48(44)52-49(32-35)50(34)45/h1-32H
InChIKeyHWIKEGYRBUXLAF-UHFFFAOYSA-N
XLogP13.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(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

15-[4-(9,9'-spirobi[fluorene]-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177127535
11-(9,9-diphenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170015085
11-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170014946
12-(9,9'-spirobi[fluorene]-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170013597
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
15-[3-(9-phenylfluoren-9-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 170021977
2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)spiro[fluorene-9,9'-xanthene]
CID 170037139
12-spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126719
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
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147

Frequently Asked Questions

What is the IUPAC name of 11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The IUPAC name of 11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (CID 177128059) is 11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.
What is the SMILES notation for 11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The canonical SMILES for 11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5O6)c5ccccc45)cc32)cc1.
What is the InChIKey of 11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The InChIKey is HWIKEGYRBUXLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32O/c1-3-15-36(16-4-1)51(37-17-5-2-6-18-37)46-24-11-9-21-42(46)43-27-26-33(31-47(43)51)38-28-29-39(41-20-8-7-19-40(38)41)35-30-34-14-13-23-45-44-22-10-12-25-48(44)52-49(32-35)50(34)45/h1-32H.
What are the key properties of 11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene has a molecular weight of 660.82 g/mol, XLogP of 13.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is sourced from PubChem (CID 177128059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).