1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran

C61H38O2 — CID 155334387

IUPAC1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2c(-c3c4cccc(-c5cccc6ccc7oc8ccccc8c7c56)c4cc4c(-c5cccc6ccc7oc8ccccc8c7c56)cccc34)cccc21
InChIInChI=1S/C61H38O2/c1-61(2)49-26-6-3-16-43(49)58-46(25-13-27-50(58)61)57-41-23-11-19-37(39-21-9-14-35-30-32-53-59(55(35)39)44-17-4-7-28-51(44)62-53)47(41)34-48-38(20-12-24-42(48)57)40-22-10-15-36-31-33-54-60(56(36)40)45-18-5-8-29-52(45)63-54/h3-34H,1-2H3
InChIKeyCJFFJPCGIZCMEP-UHFFFAOYSA-N
MW802.97 g/mol
LogP17.41
Rot. Bonds3

About 1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran

1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 155334387) has the molecular formula C61H38O2 and a molecular weight of 802.97 g/mol. Its IUPAC name is 1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
PubChem CID155334387
Molecular FormulaC61H38O2
Molecular Weight802.97 g/mol
Exact Mass802.29
IUPAC Name1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2c(-c3c4cccc(-c5cccc6ccc7oc8ccccc8c7c56)c4cc4c(-c5cccc6ccc7oc8ccccc8c7c56)cccc34)cccc21
InChIInChI=1S/C61H38O2/c1-61(2)49-26-6-3-16-43(49)58-46(25-13-27-50(58)61)57-41-23-11-19-37(39-21-9-14-35-30-32-53-59(55(35)39)44-17-4-7-28-51(44)62-53)47(41)34-48-38(20-12-24-42(48)57)40-22-10-15-36-31-33-54-60(56(36)40)45-18-5-8-29-52(45)63-54/h3-34H,1-2H3
InChIKeyCJFFJPCGIZCMEP-UHFFFAOYSA-N
XLogP17.41
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.97
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran
CID 159724531
1-[10-(9,9-diphenylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 158916579
9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 134487924
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265135
1-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran
CID 59196193
15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 130189604
1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9-dimethylxanthen-1-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333803
1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran
CID 162141045
7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran
CID 122415730
11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155334176
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170035232

Frequently Asked Questions

What is the IUPAC name of 1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran (CID 155334387) is 1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran is CC1(C)c2ccccc2-c2c(-c3c4cccc(-c5cccc6ccc7oc8ccccc8c7c56)c4cc4c(-c5cccc6ccc7oc8ccccc8c7c56)cccc34)cccc21.
What is the InChIKey of 1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran?
The InChIKey is CJFFJPCGIZCMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38O2/c1-61(2)49-26-6-3-16-43(49)58-46(25-13-27-50(58)61)57-41-23-11-19-37(39-21-9-14-35-30-32-53-59(55(35)39)44-17-4-7-28-51(44)62-53)47(41)34-48-38(20-12-24-42(48)57)40-22-10-15-36-31-33-54-60(56(36)40)45-18-5-8-29-52(45)63-54/h3-34H,1-2H3.
What are the key properties of 1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran?
1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 802.97 g/mol, XLogP of 17.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 155334387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).