3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine

C121H72N4O4 — CID 159543266

IUPAC3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine
SMILESc1ccc(-c2ccc(-c3ccc4c(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc5c(-c5ccc6oc7c8ccccc8ccc7c6c5)c4c3)cn2)nc1.c1ccc(C2Nc3ccccc3N2c2ccc(-c3ccc4c(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc5c(-c5ccc6oc7c8ccccc8ccc7c6c5)c4c3)cc2)cc1
InChIInChI=1S/C65H40N2O2.C56H32N2O2/c1-2-14-42(15-3-1)65-66-57-20-10-11-21-58(57)67(65)46-29-22-39(23-30-46)43-26-31-51-56(36-43)62(45-28-35-60-55(38-45)53-33-25-41-13-5-7-17-48(41)64(53)69-60)50-19-9-8-18-49(50)61(51)44-27-34-59-54(37-44)52-32-24-40-12-4-6-16-47(40)63(52)68-59;1-3-11-39-33(9-1)16-23-44-46-30-36(20-26-51(46)59-55(39)44)53-41-13-5-6-14-42(41)54(37-21-27-52-47(31-37)45-24-17-34-10-2-4-12-40(34)56(45)60-52)48-29-35(18-22-43(48)53)38-19-25-50(58-32-38)49-15-7-8-28-57-49/h1-38,65-66H;1-32H
InChIKeyMEMFNHMQODPTPZ-UHFFFAOYSA-N
MW1645.93 g/mol
LogP33.92
Rot. Bonds9

About 3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine

3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine (PubChem CID 159543266) has the molecular formula C121H72N4O4 and a molecular weight of 1645.93 g/mol. Its IUPAC name is 3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine
PubChem CID159543266
Molecular FormulaC121H72N4O4
Molecular Weight1645.93 g/mol
Exact Mass1644.56
IUPAC Name3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine
SMILESc1ccc(-c2ccc(-c3ccc4c(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc5c(-c5ccc6oc7c8ccccc8ccc7c6c5)c4c3)cn2)nc1.c1ccc(C2Nc3ccccc3N2c2ccc(-c3ccc4c(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc5c(-c5ccc6oc7c8ccccc8ccc7c6c5)c4c3)cc2)cc1
InChIInChI=1S/C65H40N2O2.C56H32N2O2/c1-2-14-42(15-3-1)65-66-57-20-10-11-21-58(57)67(65)46-29-22-39(23-30-46)43-26-31-51-56(36-43)62(45-28-35-60-55(38-45)53-33-25-41-13-5-7-17-48(41)64(53)69-60)50-19-9-8-18-49(50)61(51)44-27-34-59-54(37-44)52-32-24-40-12-4-6-16-47(40)63(52)68-59;1-3-11-39-33(9-1)16-23-44-46-30-36(20-26-51(46)59-55(39)44)53-41-13-5-6-14-42(41)54(37-21-27-52-47(31-37)45-24-17-34-10-2-4-12-40(34)56(45)60-52)48-29-35(18-22-43(48)53)38-19-25-50(58-32-38)49-15-7-8-28-57-49/h1-38,65-66H;1-32H
InChIKeyMEMFNHMQODPTPZ-UHFFFAOYSA-N
XLogP33.92
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001645.93
LogP ≤ 533.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine with MolForge

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Related Compounds

2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-3-phenyl-1,2-dihydrobenzimidazole;2-[3-[2-(3,5-diphenylphenyl)-10-(3-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine;2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 159036101
2-naphtho[1,2-b][1]benzofuran-8-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 146859596
3-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridin-2-yl-1,2-dihydrobenzimidazole
CID 122696305
2-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)-4,6-diphenylpyridine;2-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)-6-pyridin-2-ylpyridine;2-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)-6-pyridin-3-ylpyridine;2-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)-6-pyridin-4-ylpyridine;5-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)-2-pyridin-2-ylpyridine;5-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)-2-pyridin-3-ylpyridine;5-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)-2-pyridin-4-ylpyridine
CID 158226678
28-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-3-oxa-28-azaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 145370613
14-[3-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129124564
3,6-diphenyl-9-[9-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole
CID 146337785
2-naphtho[1,2-b][1]benzofuran-9-yl-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 146781542
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 130190112
5-naphtho[2,1-b][1]benzofuran-10-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 149259214
8-(2-tert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(2,6-ditert-butyl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 158500156
7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568993

Frequently Asked Questions

What is the IUPAC name of 3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine?
The IUPAC name of 3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine (CID 159543266) is 3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine.
What is the SMILES notation for 3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine?
The canonical SMILES for 3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine is c1ccc(-c2ccc(-c3ccc4c(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc5c(-c5ccc6oc7c8ccccc8ccc7c6c5)c4c3)cn2)nc1.c1ccc(C2Nc3ccccc3N2c2ccc(-c3ccc4c(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc5c(-c5ccc6oc7c8ccccc8ccc7c6c5)c4c3)cc2)cc1.
What is the InChIKey of 3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine?
The InChIKey is MEMFNHMQODPTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N2O2.C56H32N2O2/c1-2-14-42(15-3-1)65-66-57-20-10-11-21-58(57)67(65)46-29-22-39(23-30-46)43-26-31-51-56(36-43)62(45-28-35-60-55(38-45)53-33-25-41-13-5-7-17-48(41)64(53)69-60)50-19-9-8-18-49(50)61(51)44-27-34-59-54(37-44)52-32-24-40-12-4-6-16-47(40)63(52)68-59;1-3-11-39-33(9-1)16-23-44-46-30-36(20-26-51(46)59-55(39)44)53-41-13-5-6-14-42(41)54(37-21-27-52-47(31-37)45-24-17-34-10-2-4-12-40(34)56(45)60-52)48-29-35(18-22-43(48)53)38-19-25-50(58-32-38)49-15-7-8-28-57-49/h1-38,65-66H;1-32H.
What are the key properties of 3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine?
3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine has a molecular weight of 1645.93 g/mol, XLogP of 33.92, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]phenyl]-2-phenyl-1,2-dihydrobenzimidazole;5-[9,10-bis(naphtho[1,2-b][1]benzofuran-8-yl)anthracen-2-yl]-2-pyridin-2-ylpyridine is sourced from PubChem (CID 159543266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).