8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran

C55H32O — CID 166034203

IUPAC8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc3cc(-c4ccc5cc(-c6ccc7oc8c9ccccc9ccc8c7c6)ccc5c4)ccc3c21
InChIInChI=1S/C55H32O/c1-2-10-42-33(9-1)21-27-47-48-32-39(24-28-52(48)56-54(42)47)37-20-19-34-29-36(18-17-35(34)30-37)38-22-25-41-40(31-38)23-26-46-45-13-5-8-16-51(45)55(53(41)46)49-14-6-3-11-43(49)44-12-4-7-15-50(44)55/h1-32H
InChIKeyZXKTXHWEWICIIW-UHFFFAOYSA-N
MW708.86 g/mol
LogP14.72
Rot. Bonds2

About 8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran

8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 166034203) has the molecular formula C55H32O and a molecular weight of 708.86 g/mol. Its IUPAC name is 8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran
PubChem CID166034203
Molecular FormulaC55H32O
Molecular Weight708.86 g/mol
Exact Mass708.25
IUPAC Name8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc3cc(-c4ccc5cc(-c6ccc7oc8c9ccccc9ccc8c7c6)ccc5c4)ccc3c21
InChIInChI=1S/C55H32O/c1-2-10-42-33(9-1)21-27-47-48-32-39(24-28-52(48)56-54(42)47)37-20-19-34-29-36(18-17-35(34)30-37)38-22-25-41-40(31-38)23-26-46-45-13-5-8-16-51(45)55(53(41)46)49-14-6-3-11-43(49)44-12-4-7-15-50(44)55/h1-32H
InChIKeyZXKTXHWEWICIIW-UHFFFAOYSA-N
XLogP14.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.86
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(9-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2-yl)naphtho[1,2-b][1]benzofuran
CID 166034505
2-(10-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 137493809
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran
CID 166034566
8-(6-naphtho[1,2-b][1]benzofuran-8-yl-11,11-diphenylbenzo[a]fluoren-9-yl)naphtho[1,2-b][1]benzofuran
CID 166034299
8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433286
8-pyren-2-ylnaphtho[1,2-b][1]benzofuran
CID 139341199
3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran
CID 166034341
8-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 170374689
17'-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]
CID 140962446
8-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 139341196
2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 134216060

Frequently Asked Questions

What is the IUPAC name of 8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of 8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran (CID 166034203) is 8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc3cc(-c4ccc5cc(-c6ccc7oc8c9ccccc9ccc8c7c6)ccc5c4)ccc3c21.
What is the InChIKey of 8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran?
The InChIKey is ZXKTXHWEWICIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32O/c1-2-10-42-33(9-1)21-27-47-48-32-39(24-28-52(48)56-54(42)47)37-20-19-34-29-36(18-17-35(34)30-37)38-22-25-41-40(31-38)23-26-46-45-13-5-8-16-51(45)55(53(41)46)49-14-6-3-11-43(49)44-12-4-7-15-50(44)55/h1-32H.
What are the key properties of 8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran?
8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 708.86 g/mol, XLogP of 14.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 166034203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).