6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran

C166H106O3 — CID 159916056

IUPAC6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3cc(-c4cccc(-c5cc6ccccc6c6c5oc5ccccc56)c4)ccc23)cc1.c1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc(-c2cc3ccccc3c3c2oc2ccccc23)c1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4cc(-c5cccc(-c6cc7ccccc7c7c6oc6ccccc67)c5)ccc34)c2)cc1
InChIInChI=1S/C60H38O.C56H34O.C50H34O/c1-3-16-39(17-4-1)41-21-14-25-47(35-41)57-50-28-9-10-29-51(50)58(48-26-15-22-42(36-48)40-18-5-2-6-19-40)55-37-44(32-33-52(55)57)43-23-13-24-45(34-43)54-38-46-20-7-8-27-49(46)59-53-30-11-12-31-56(53)61-60(54)59;1-3-14-37-31-43(26-24-35(37)12-1)53-46-20-7-8-21-47(46)54(44-27-25-36-13-2-4-15-38(36)32-44)51-33-40(28-29-48(51)53)39-17-11-18-41(30-39)50-34-42-16-5-6-19-45(42)55-49-22-9-10-23-52(49)57-56(50)55;1-31-18-22-33(23-19-31)47-40-14-5-6-15-41(40)48(34-24-20-32(2)21-25-34)45-29-36(26-27-42(45)47)35-11-9-12-37(28-35)44-30-38-10-3-4-13-39(38)49-43-16-7-8-17-46(43)51-50(44)49/h1-38H;1-34H;3-30H,1-2H3
InChIKeyNXUIHYZRKXHQDH-UHFFFAOYSA-N
MW2148.67 g/mol
LogP47.40
Rot. Bonds14

About 6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran

6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 159916056) has the molecular formula C166H106O3 and a molecular weight of 2148.67 g/mol. Its IUPAC name is 6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
PubChem CID159916056
Molecular FormulaC166H106O3
Molecular Weight2148.67 g/mol
Exact Mass2146.81
IUPAC Name6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3cc(-c4cccc(-c5cc6ccccc6c6c5oc5ccccc56)c4)ccc23)cc1.c1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc(-c2cc3ccccc3c3c2oc2ccccc23)c1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4cc(-c5cccc(-c6cc7ccccc7c7c6oc6ccccc67)c5)ccc34)c2)cc1
InChIInChI=1S/C60H38O.C56H34O.C50H34O/c1-3-16-39(17-4-1)41-21-14-25-47(35-41)57-50-28-9-10-29-51(50)58(48-26-15-22-42(36-48)40-18-5-2-6-19-40)55-37-44(32-33-52(55)57)43-23-13-24-45(34-43)54-38-46-20-7-8-27-49(46)59-53-30-11-12-31-56(53)61-60(54)59;1-3-14-37-31-43(26-24-35(37)12-1)53-46-20-7-8-21-47(46)54(44-27-25-36-13-2-4-15-38(36)32-44)51-33-40(28-29-48(51)53)39-17-11-18-41(30-39)50-34-42-16-5-6-19-45(42)55-49-22-9-10-23-52(49)57-56(50)55;1-31-18-22-33(23-19-31)47-40-14-5-6-15-41(40)48(34-24-20-32(2)21-25-34)45-29-36(26-27-42(45)47)35-11-9-12-37(28-35)44-30-38-10-3-4-13-39(38)49-43-16-7-8-17-46(43)51-50(44)49/h1-38H;1-34H;3-30H,1-2H3
InChIKeyNXUIHYZRKXHQDH-UHFFFAOYSA-N
XLogP47.40
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002148.67
LogP ≤ 547.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran with MolForge

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Related Compounds

6-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88569932
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88539783
6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 86667299
1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran
CID 138749818
11-(2-naphthalen-2-yl-10-phenylanthracen-9-yl)-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene
CID 164818022
9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;2-[10-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-(4-phenylphenyl)anthracene;1-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 165001898
8-(2,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2-methyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 161162525
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran
CID 123603110
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
2-naphthalen-2-yl-1-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176745941
6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 129119407
16-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122415748

Frequently Asked Questions

What is the IUPAC name of 6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran (CID 159916056) is 6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran is Cc1ccc(-c2c3ccccc3c(-c3ccc(C)cc3)c3cc(-c4cccc(-c5cc6ccccc6c6c5oc5ccccc56)c4)ccc23)cc1.c1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc(-c2cc3ccccc3c3c2oc2ccccc23)c1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4cc(-c5cccc(-c6cc7ccccc7c7c6oc6ccccc67)c5)ccc34)c2)cc1.
What is the InChIKey of 6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran?
The InChIKey is NXUIHYZRKXHQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38O.C56H34O.C50H34O/c1-3-16-39(17-4-1)41-21-14-25-47(35-41)57-50-28-9-10-29-51(50)58(48-26-15-22-42(36-48)40-18-5-2-6-19-40)55-37-44(32-33-52(55)57)43-23-13-24-45(34-43)54-38-46-20-7-8-27-49(46)59-53-30-11-12-31-56(53)61-60(54)59;1-3-14-37-31-43(26-24-35(37)12-1)53-46-20-7-8-21-47(46)54(44-27-25-36-13-2-4-15-38(36)32-44)51-33-40(28-29-48(51)53)39-17-11-18-41(30-39)50-34-42-16-5-6-19-45(42)55-49-22-9-10-23-52(49)57-56(50)55;1-31-18-22-33(23-19-31)47-40-14-5-6-15-41(40)48(34-24-20-32(2)21-25-34)45-29-36(26-27-42(45)47)35-11-9-12-37(28-35)44-30-38-10-3-4-13-39(38)49-43-16-7-8-17-46(43)51-50(44)49/h1-38H;1-34H;3-30H,1-2H3.
What are the key properties of 6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran?
6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran has a molecular weight of 2148.67 g/mol, XLogP of 47.40, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 159916056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).