10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran

C51H32O — CID 170939914

IUPAC10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4c3oc3c5ccccc5ccc34)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C51H32O/c1-51(2)44-28-35(19-21-39(44)43-26-33-9-3-4-10-34(33)27-45(43)51)37-24-25-41(48-42-23-16-29-8-5-6-13-36(29)49(42)52-50(37)48)38-20-17-32-15-14-30-11-7-12-31-18-22-40(38)47(32)46(30)31/h3-28H,1-2H3
InChIKeyLQECFCKQDNEFBD-UHFFFAOYSA-N
MW660.82 g/mol
LogP14.43
Rot. Bonds2

About 10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran

10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran (PubChem CID 170939914) has the molecular formula C51H32O and a molecular weight of 660.82 g/mol. Its IUPAC name is 10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
PubChem CID170939914
Molecular FormulaC51H32O
Molecular Weight660.82 g/mol
Exact Mass660.25
IUPAC Name10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
SMILESCC1(C)c2cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4c3oc3c5ccccc5ccc34)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C51H32O/c1-51(2)44-28-35(19-21-39(44)43-26-33-9-3-4-10-34(33)27-45(43)51)37-24-25-41(48-42-23-16-29-8-5-6-13-36(29)49(42)52-50(37)48)38-20-17-32-15-14-30-11-7-12-31-18-22-40(38)47(32)46(30)31/h3-28H,1-2H3
InChIKeyLQECFCKQDNEFBD-UHFFFAOYSA-N
XLogP14.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 514.43
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-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170939858
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-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran
CID 122426066
7-pyren-1-yl-10-(4-pyren-1-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 170939904
3,7-di(pyren-1-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 170940121
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
1-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pyrene
CID 59217278
1-[6-[9,9-dimethyl-7-(6-pyren-1-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]pyrene
CID 59217018
10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940014
1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene
CID 161018965

Frequently Asked Questions

What is the IUPAC name of 10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The IUPAC name of 10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran (CID 170939914) is 10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran is CC1(C)c2cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)c4c3oc3c5ccccc5ccc34)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The InChIKey is LQECFCKQDNEFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32O/c1-51(2)44-28-35(19-21-39(44)43-26-33-9-3-4-10-34(33)27-45(43)51)37-24-25-41(48-42-23-16-29-8-5-6-13-36(29)49(42)52-50(37)48)38-20-17-32-15-14-30-11-7-12-31-18-22-40(38)47(32)46(30)31/h3-28H,1-2H3.
What are the key properties of 10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran has a molecular weight of 660.82 g/mol, XLogP of 14.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 170939914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).