2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline

C116H70N4 — CID 159251895

IUPAC2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline
SMILESc1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5ccccc45)nc23)cc1.c1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5ccccc45)nc23)cc1
InChIInChI=1S/C60H36N2.C56H34N2/c1-2-17-38(18-3-1)54-50-28-14-15-29-52(50)61-60-51(54)34-32-39-33-35-53(62-59(39)60)56-44-22-8-12-26-48(44)58(49-27-13-9-23-45(49)56)57-46-24-10-6-20-42(46)55(43-21-7-11-25-47(43)57)41-31-30-37-16-4-5-19-40(37)36-41;1-2-15-36(16-3-1)52-48-24-12-13-25-50(48)58-56-49(52)30-28-37-29-33-51(57-55(37)56)42-31-32-47(41-19-7-6-18-40(41)42)54-45-22-10-8-20-43(45)53(44-21-9-11-23-46(44)54)39-27-26-35-14-4-5-17-38(35)34-39/h1-36H;1-34H
InChIKeyKVKABHFYTOOAOG-UHFFFAOYSA-N
MW1519.86 g/mol
LogP31.59
Rot. Bonds8

About 2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline

2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline (PubChem CID 159251895) has the molecular formula C116H70N4 and a molecular weight of 1519.86 g/mol. Its IUPAC name is 2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline
PubChem CID159251895
Molecular FormulaC116H70N4
Molecular Weight1519.86 g/mol
Exact Mass1518.56
IUPAC Name2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline
SMILESc1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5ccccc45)nc23)cc1.c1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5ccccc45)nc23)cc1
InChIInChI=1S/C60H36N2.C56H34N2/c1-2-17-38(18-3-1)54-50-28-14-15-29-52(50)61-60-51(54)34-32-39-33-35-53(62-59(39)60)56-44-22-8-12-26-48(44)58(49-27-13-9-23-45(49)56)57-46-24-10-6-20-42(46)55(43-21-7-11-25-47(43)57)41-31-30-37-16-4-5-19-40(37)36-41;1-2-15-36(16-3-1)52-48-24-12-13-25-50(48)58-56-49(52)30-28-37-29-33-51(57-55(37)56)42-31-32-47(41-19-7-6-18-40(41)42)54-45-22-10-8-20-43(45)53(44-21-9-11-23-46(44)54)39-27-26-35-14-4-5-17-38(35)34-39/h1-36H;1-34H
InChIKeyKVKABHFYTOOAOG-UHFFFAOYSA-N
XLogP31.59
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001519.86
LogP ≤ 531.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline with MolForge

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Related Compounds

2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445819
7-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline;2-phenyl-7-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 158696446
2-phenyl-7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139446000
7-phenyl-2-[10-(4-quinolin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline
CID 134559323
2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221304
7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445803
2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139446127
2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445841
7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline
CID 158522019
2-phenanthren-9-yl-9-(10-phenylanthracen-9-yl)-1,10-phenanthroline
CID 176908226
7-phenyl-2-[4-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline
CID 139445853
2-naphthalen-2-yl-9-[4-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 59010533

Frequently Asked Questions

What is the IUPAC name of 2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline?
The IUPAC name of 2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline (CID 159251895) is 2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline.
What is the SMILES notation for 2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline?
The canonical SMILES for 2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline is c1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4c5ccccc5c(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5ccccc45)nc23)cc1.c1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c5ccccc45)nc23)cc1.
What is the InChIKey of 2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline?
The InChIKey is KVKABHFYTOOAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2.C56H34N2/c1-2-17-38(18-3-1)54-50-28-14-15-29-52(50)61-60-51(54)34-32-39-33-35-53(62-59(39)60)56-44-22-8-12-26-48(44)58(49-27-13-9-23-45(49)56)57-46-24-10-6-20-42(46)55(43-21-7-11-25-47(43)57)41-31-30-37-16-4-5-19-40(37)36-41;1-2-15-36(16-3-1)52-48-24-12-13-25-50(48)58-56-49(52)30-28-37-29-33-51(57-55(37)56)42-31-32-47(41-19-7-6-18-40(41)42)54-45-22-10-8-20-43(45)53(44-21-9-11-23-46(44)54)39-27-26-35-14-4-5-17-38(35)34-39/h1-36H;1-34H.
What are the key properties of 2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline?
2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline has a molecular weight of 1519.86 g/mol, XLogP of 31.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline;2-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-7-phenylbenzo[b][1,10]phenanthroline is sourced from PubChem (CID 159251895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).