2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran

C92H50O4 — CID 174184732

IUPAC2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4ccc5oc6cc7c(-c8cccc9cc%10c(cc89)oc8ccc(-c9c%11ccccc%11c(-c%11ccc%12oc%13ccc%14ccccc%14c%13c%12c%11)c%11ccccc9%11)cc8%10)cccc7cc6c5c4)c4ccccc24)cc13
InChIInChI=1S/C92H50O4/c1-2-17-53-48-85-76(41-52(53)16-1)73-44-56(32-36-80(73)94-85)88-63-21-5-7-23-65(63)89(66-24-8-6-22-64(66)88)57-33-37-81-74(45-57)77-42-54-18-13-29-61(71(54)49-86(77)95-81)62-30-14-19-55-43-78-75-46-58(34-38-82(75)96-87(78)50-72(55)62)90-67-25-9-11-27-69(67)91(70-28-12-10-26-68(70)90)59-35-39-83-79(47-59)92-60-20-4-3-15-51(60)31-40-84(92)93-83/h1-50H
InChIKeyOYTZLYQQQVZHIQ-UHFFFAOYSA-N
MW1219.41 g/mol
LogP26.84
Rot. Bonds5

About 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran

2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 174184732) has the molecular formula C92H50O4 and a molecular weight of 1219.41 g/mol. Its IUPAC name is 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran
PubChem CID174184732
Molecular FormulaC92H50O4
Molecular Weight1219.41 g/mol
Exact Mass1218.37
IUPAC Name2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4ccc5oc6cc7c(-c8cccc9cc%10c(cc89)oc8ccc(-c9c%11ccccc%11c(-c%11ccc%12oc%13ccc%14ccccc%14c%13c%12c%11)c%11ccccc9%11)cc8%10)cccc7cc6c5c4)c4ccccc24)cc13
InChIInChI=1S/C92H50O4/c1-2-17-53-48-85-76(41-52(53)16-1)73-44-56(32-36-80(73)94-85)88-63-21-5-7-23-65(63)89(66-24-8-6-22-64(66)88)57-33-37-81-74(45-57)77-42-54-18-13-29-61(71(54)49-86(77)95-81)62-30-14-19-55-43-78-75-46-58(34-38-82(75)96-87(78)50-72(55)62)90-67-25-9-11-27-69(67)91(70-28-12-10-26-68(70)90)59-35-39-83-79(47-59)92-60-20-4-3-15-51(60)31-40-84(92)93-83/h1-50H
InChIKeyOYTZLYQQQVZHIQ-UHFFFAOYSA-N
XLogP26.84
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001219.41
LogP ≤ 526.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran with MolForge

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Related Compounds

2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[8-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 134420396
2-(10-benzo[c]phenanthren-5-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 90433761
2-(10-phenanthren-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 90433755
1-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779542
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 146652374
10-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 154595990
2-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-phenyl-8-[10-[6-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]anthracen-9-yl]dibenzofuran
CID 158442186
10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 88568907
9-(10-benzo[a]anthracen-4-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 135252309
2-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 161091180
2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 155205856
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427142

Frequently Asked Questions

What is the IUPAC name of 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran (CID 174184732) is 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran is c1ccc2cc3c(cc2c1)oc1ccc(-c2c4ccccc4c(-c4ccc5oc6cc7c(-c8cccc9cc%10c(cc89)oc8ccc(-c9c%11ccccc%11c(-c%11ccc%12oc%13ccc%14ccccc%14c%13c%12c%11)c%11ccccc9%11)cc8%10)cccc7cc6c5c4)c4ccccc24)cc13.
What is the InChIKey of 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran?
The InChIKey is OYTZLYQQQVZHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H50O4/c1-2-17-53-48-85-76(41-52(53)16-1)73-44-56(32-36-80(73)94-85)88-63-21-5-7-23-65(63)89(66-24-8-6-22-64(66)88)57-33-37-81-74(45-57)77-42-54-18-13-29-61(71(54)49-86(77)95-81)62-30-14-19-55-43-78-75-46-58(34-38-82(75)96-87(78)50-72(55)62)90-67-25-9-11-27-69(67)91(70-28-12-10-26-68(70)90)59-35-39-83-79(47-59)92-60-20-4-3-15-51(60)31-40-84(92)93-83/h1-50H.
What are the key properties of 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran?
2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran has a molecular weight of 1219.41 g/mol, XLogP of 26.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 174184732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).