10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran

C47H30O — CID 170939858

IUPAC10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4c3oc3c5ccccc5ccc34)cc21
InChIInChI=1S/C47H30O/c1-47(2)40-13-6-5-12-35(40)36-21-19-31(26-41(36)47)33-24-25-38(44-39-23-16-27-8-3-4-11-32(27)45(39)48-46(33)44)34-20-17-30-15-14-28-9-7-10-29-18-22-37(34)43(30)42(28)29/h3-26H,1-2H3
InChIKeyPNBIIGUSGYIVPV-UHFFFAOYSA-N
MW610.76 g/mol
LogP13.28
Rot. Bonds2

About 10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran

10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran (PubChem CID 170939858) has the molecular formula C47H30O and a molecular weight of 610.76 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
PubChem CID170939858
Molecular FormulaC47H30O
Molecular Weight610.76 g/mol
Exact Mass610.23
IUPAC Name10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4c3oc3c5ccccc5ccc34)cc21
InChIInChI=1S/C47H30O/c1-47(2)40-13-6-5-12-35(40)36-21-19-31(26-41(36)47)33-24-25-38(44-39-23-16-27-8-3-4-11-32(27)45(39)48-46(33)44)34-20-17-30-15-14-28-9-7-10-29-18-22-37(34)43(30)42(28)29/h3-26H,1-2H3
InChIKeyPNBIIGUSGYIVPV-UHFFFAOYSA-N
XLogP13.28
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170939914
1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
7-pyren-1-yl-10-pyren-2-ylnaphtho[1,2-b][1]benzofuran
CID 170939990
10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170940190
10-(11,11-dimethylbenzo[a]fluoren-7-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170939693
10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran
CID 122426066
4-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 58402146
7-pyren-1-yl-10-(4-pyren-1-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 170939904
1-[6-(9,9-dimethylfluoren-2-yl)pyren-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 170658075
7-benzo[g]phenanthren-3-yl-10-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170940159
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran (CID 170939858) is 10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4c3oc3c5ccccc5ccc34)cc21.
What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The InChIKey is PNBIIGUSGYIVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30O/c1-47(2)40-13-6-5-12-35(40)36-21-19-31(26-41(36)47)33-24-25-38(44-39-23-16-27-8-3-4-11-32(27)45(39)48-46(33)44)34-20-17-30-15-14-28-9-7-10-29-18-22-37(34)43(30)42(28)29/h3-26H,1-2H3.
What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran has a molecular weight of 610.76 g/mol, XLogP of 13.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 170939858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).