11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran

C47H32O — CID 176777735

IUPAC11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran
SMILES[2H]c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c5oc6ccccc6c45)cc3)ccc2c1
InChIInChI=1S/C47H32O/c1-47(2)39-19-9-7-16-36(39)43-38(18-11-20-40(43)47)44-35-15-6-5-14-34(35)42(45-37-17-8-10-21-41(37)48-46(44)45)31-25-22-30(23-26-31)33-27-24-29-12-3-4-13-32(29)28-33/h3-28H,1-2H3/i3D
InChIKeyXOZXJWOWVCKRIY-WFVSFCRTSA-N
MW613.78 g/mol
LogP13.20
Rot. Bonds3

About 11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran

11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 176777735) has the molecular formula C47H32O and a molecular weight of 613.78 g/mol. Its IUPAC name is 11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran
PubChem CID176777735
Molecular FormulaC47H32O
Molecular Weight613.78 g/mol
Exact Mass613.25
IUPAC Name11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran
SMILES[2H]c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c5oc6ccccc6c45)cc3)ccc2c1
InChIInChI=1S/C47H32O/c1-47(2)39-19-9-7-16-36(39)43-38(18-11-20-40(43)47)44-35-15-6-5-14-34(35)42(45-37-17-8-10-21-41(37)48-46(44)45)31-25-22-30(23-26-31)33-27-24-29-12-3-4-13-32(29)28-33/h3-28H,1-2H3/i3D
InChIKeyXOZXJWOWVCKRIY-WFVSFCRTSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.78
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777590
6-[9,9-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)fluoren-1-yl]-11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran
CID 176777627
14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122426897
6-(9,9-dimethylfluoren-2-yl)-11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777650
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
1-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-6-methyldibenzofuran
CID 171449643
14,14-dimethyl-12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122426120
6-(9,9-dimethylfluoren-2-yl)-11-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran
CID 176777836
11-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)naphtho[2,3-b][1]benzofuran
CID 176777762
1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran
CID 171449387
9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140784213
1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 170653754

Frequently Asked Questions

What is the IUPAC name of 11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran (CID 176777735) is 11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran is [2H]c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c5oc6ccccc6c45)cc3)ccc2c1.
What is the InChIKey of 11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran?
The InChIKey is XOZXJWOWVCKRIY-WFVSFCRTSA-N. The full InChI is InChI=1S/C47H32O/c1-47(2)39-19-9-7-16-36(39)43-38(18-11-20-40(43)47)44-35-15-6-5-14-34(35)42(45-37-17-8-10-21-41(37)48-46(44)45)31-25-22-30(23-26-31)33-27-24-29-12-3-4-13-32(29)28-33/h3-28H,1-2H3/i3D.
What are the key properties of 11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran?
11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 613.78 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(6-deuterionaphthalen-2-yl)phenyl]-6-(9,9-dimethylfluoren-4-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 176777735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).