1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran

C221H133N3O6 — CID 159296479

IUPAC1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
SMILESCn1c2ccccc2c2cccc(-c3cccc4c(-c5cccc6c7ccccc7n(C)c56)c5cccc(-c6cccc7c8ccccc8n(C)c67)c5cc34)c21.c1ccc2cc3c(cc2c1)oc1c(-c2c4cccc(-c5cccc6ccccc56)c4cc4c(-c5cccc6ccccc56)cccc24)cccc13.c1ccc2cc3c(cc2c1)oc1c(-c2cccc4c(-c5cccc6c5oc5cc7ccccc7cc56)c5cccc(-c6cccc7c6oc6cc8ccccc8cc67)c5cc24)cccc13.c1ccc2cc3c(cc2c1)oc1c(-c2cccc4c(-c5cccc6ccccc56)c5cccc(-c6cccc7c6oc6cc8ccccc8cc67)c5cc24)cccc13
InChIInChI=1S/C62H34O3.C56H32O2.C53H37N3.C50H30O/c1-4-15-38-31-56-53(28-35(38)12-1)47-24-9-22-45(60(47)63-56)41-18-7-20-43-51(41)34-52-42(46-23-10-25-48-54-29-36-13-2-5-16-39(36)32-57(54)64-61(46)48)19-8-21-44(52)59(43)50-27-11-26-49-55-30-37-14-3-6-17-40(37)33-58(55)65-62(49)50;1-3-15-36-30-52-50(28-34(36)13-1)46-26-10-24-44(55(46)57-52)39-19-8-22-42-48(39)32-49-40(20-9-23-43(49)54(42)41-21-7-17-33-12-5-6-18-38(33)41)45-25-11-27-47-51-29-35-14-2-4-16-37(35)31-53(51)58-56(45)47;1-54-47-28-7-4-15-34(47)41-24-12-22-39(51(41)54)32-18-10-20-37-45(32)31-46-33(40-23-13-25-42-35-16-5-8-29-48(35)55(2)52(40)42)19-11-21-38(46)50(37)44-27-14-26-43-36-17-6-9-30-49(36)56(3)53(43)44;1-2-15-34-29-48-47(28-33(34)14-1)43-26-11-27-44(50(43)51-48)49-41-24-9-22-39(37-20-7-16-31-12-3-5-18-35(31)37)45(41)30-46-40(23-10-25-42(46)49)38-21-8-17-32-13-4-6-19-36(32)38/h1-34H;1-32H;4-31H,1-3H3;1-30H
InChIKeyLAUBRDWMTLXHGW-UHFFFAOYSA-N
MW2926.51 g/mol
LogP62.69
Rot. Bonds12

About 1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran

1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 159296479) has the molecular formula C221H133N3O6 and a molecular weight of 2926.51 g/mol. Its IUPAC name is 1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
PubChem CID159296479
Molecular FormulaC221H133N3O6
Molecular Weight2926.51 g/mol
Exact Mass2924.02
IUPAC Name1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
SMILESCn1c2ccccc2c2cccc(-c3cccc4c(-c5cccc6c7ccccc7n(C)c56)c5cccc(-c6cccc7c8ccccc8n(C)c67)c5cc34)c21.c1ccc2cc3c(cc2c1)oc1c(-c2c4cccc(-c5cccc6ccccc56)c4cc4c(-c5cccc6ccccc56)cccc24)cccc13.c1ccc2cc3c(cc2c1)oc1c(-c2cccc4c(-c5cccc6c5oc5cc7ccccc7cc56)c5cccc(-c6cccc7c6oc6cc8ccccc8cc67)c5cc24)cccc13.c1ccc2cc3c(cc2c1)oc1c(-c2cccc4c(-c5cccc6ccccc56)c5cccc(-c6cccc7c6oc6cc8ccccc8cc67)c5cc24)cccc13
InChIInChI=1S/C62H34O3.C56H32O2.C53H37N3.C50H30O/c1-4-15-38-31-56-53(28-35(38)12-1)47-24-9-22-45(60(47)63-56)41-18-7-20-43-51(41)34-52-42(46-23-10-25-48-54-29-36-13-2-5-16-39(36)32-57(54)64-61(46)48)19-8-21-44(52)59(43)50-27-11-26-49-55-30-37-14-3-6-17-40(37)33-58(55)65-62(49)50;1-3-15-36-30-52-50(28-34(36)13-1)46-26-10-24-44(55(46)57-52)39-19-8-22-42-48(39)32-49-40(20-9-23-43(49)54(42)41-21-7-17-33-12-5-6-18-38(33)41)45-25-11-27-47-51-29-35-14-2-4-16-37(35)31-53(51)58-56(45)47;1-54-47-28-7-4-15-34(47)41-24-12-22-39(51(41)54)32-18-10-20-37-45(32)31-46-33(40-23-13-25-42-35-16-5-8-29-48(35)55(2)52(40)42)19-11-21-38(46)50(37)44-27-14-26-43-36-17-6-9-30-49(36)56(3)53(43)44;1-2-15-34-29-48-47(28-33(34)14-1)43-26-11-27-44(50(43)51-48)49-41-24-9-22-39(37-20-7-16-31-12-3-5-18-35(31)37)45(41)30-46-40(23-10-25-42(46)49)38-21-8-17-32-13-4-6-19-36(32)38/h1-34H;1-32H;4-31H,1-3H3;1-30H
InChIKeyLAUBRDWMTLXHGW-UHFFFAOYSA-N
XLogP62.69
TPSA93.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms230
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002926.51
LogP ≤ 562.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran with MolForge

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Related Compounds

4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 135183399
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 155334696
8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran
CID 155333434
4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 154595944
4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 88910037
9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole;9-methyl-3-[8-(9-methylcarbazol-3-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 162068917
9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole
CID 146770471
4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 177094657
1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 122415544
5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole
CID 163788031
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 146652642
4-(3-chloro-2-phenylphenyl)naphtho[2,3-b][1]benzofuran
CID 170665992

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran (CID 159296479) is 1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran is Cn1c2ccccc2c2cccc(-c3cccc4c(-c5cccc6c7ccccc7n(C)c56)c5cccc(-c6cccc7c8ccccc8n(C)c67)c5cc34)c21.c1ccc2cc3c(cc2c1)oc1c(-c2c4cccc(-c5cccc6ccccc56)c4cc4c(-c5cccc6ccccc56)cccc24)cccc13.c1ccc2cc3c(cc2c1)oc1c(-c2cccc4c(-c5cccc6c5oc5cc7ccccc7cc56)c5cccc(-c6cccc7c6oc6cc8ccccc8cc67)c5cc24)cccc13.c1ccc2cc3c(cc2c1)oc1c(-c2cccc4c(-c5cccc6ccccc56)c5cccc(-c6cccc7c6oc6cc8ccccc8cc67)c5cc24)cccc13.
What is the InChIKey of 1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran?
The InChIKey is LAUBRDWMTLXHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H34O3.C56H32O2.C53H37N3.C50H30O/c1-4-15-38-31-56-53(28-35(38)12-1)47-24-9-22-45(60(47)63-56)41-18-7-20-43-51(41)34-52-42(46-23-10-25-48-54-29-36-13-2-5-16-39(36)32-57(54)64-61(46)48)19-8-21-44(52)59(43)50-27-11-26-49-55-30-37-14-3-6-17-40(37)33-58(55)65-62(49)50;1-3-15-36-30-52-50(28-34(36)13-1)46-26-10-24-44(55(46)57-52)39-19-8-22-42-48(39)32-49-40(20-9-23-43(49)54(42)41-21-7-17-33-12-5-6-18-38(33)41)45-25-11-27-47-51-29-35-14-2-4-16-37(35)31-53(51)58-56(45)47;1-54-47-28-7-4-15-34(47)41-24-12-22-39(51(41)54)32-18-10-20-37-45(32)31-46-33(40-23-13-25-42-35-16-5-8-29-48(35)55(2)52(40)42)19-11-21-38(46)50(37)44-27-14-26-43-36-17-6-9-30-49(36)56(3)53(43)44;1-2-15-34-29-48-47(28-33(34)14-1)43-26-11-27-44(50(43)51-48)49-41-24-9-22-39(37-20-7-16-31-12-3-5-18-35(31)37)45(41)30-46-40(23-10-25-42(46)49)38-21-8-17-32-13-4-6-19-36(32)38/h1-34H;1-32H;4-31H,1-3H3;1-30H.
What are the key properties of 1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran?
1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 2926.51 g/mol, XLogP of 62.69, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(9-methylcarbazol-1-yl)anthracen-9-yl]-9-methylcarbazole;4-[4,5-bis(naphtho[2,3-b][1]benzofuran-4-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;4-(4,5-dinaphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 159296479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).