6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole

C142H84N10O3 — CID 157073443

IUPAC6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3c4ccccc4c(-c4oc5ccccc5c5nc6ccccc6c4-5)c4ccccc34)n2)cc1.c1ccc2c(-c3nc(-c4cccc5ccccc45)nc(-c4c5ccccc5c(-c5oc6ccccc6c6nc7ccccc7c5-6)c5ccccc45)n3)cccc2c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3c4ccccc4c(-c4oc5ccccc5c5nc6ccccc6c4-5)c4ccccc34)c2)c1
InChIInChI=1S/C52H30N4O.2C45H27N3O/c1-3-19-33-31(15-1)17-13-27-39(33)50-54-51(40-28-14-18-32-16-2-4-20-34(32)40)56-52(55-50)46-37-23-7-5-21-35(37)45(36-22-6-8-24-38(36)46)49-47-41-25-9-11-29-43(41)53-48(47)42-26-10-12-30-44(42)57-49;1-3-15-35-33(13-1)41(32-24-30(28-11-9-21-46-26-28)23-31(25-32)29-12-10-22-47-27-29)34-14-2-4-16-36(34)42(35)45-43-37-17-5-7-19-39(37)48-44(43)38-18-6-8-20-40(38)49-45;1-3-15-28(16-4-1)37-27-38(29-17-5-2-6-18-29)48-45(47-37)41-32-21-9-7-19-30(32)40(31-20-8-10-22-33(31)41)44-42-34-23-11-13-25-36(34)46-43(42)35-24-12-14-26-39(35)49-44/h1-30H;2*1-27H
InChIKeyACRSUKBYPZTSIK-UHFFFAOYSA-N
MW1978.30 g/mol
LogP37.25
Rot. Bonds12

About 6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole

6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole (PubChem CID 157073443) has the molecular formula C142H84N10O3 and a molecular weight of 1978.30 g/mol. Its IUPAC name is 6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole.

Molecular Properties

Compound Name6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole
PubChem CID157073443
Molecular FormulaC142H84N10O3
Molecular Weight1978.30 g/mol
Exact Mass1976.67
IUPAC Name6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3c4ccccc4c(-c4oc5ccccc5c5nc6ccccc6c4-5)c4ccccc34)n2)cc1.c1ccc2c(-c3nc(-c4cccc5ccccc45)nc(-c4c5ccccc5c(-c5oc6ccccc6c6nc7ccccc7c5-6)c5ccccc45)n3)cccc2c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3c4ccccc4c(-c4oc5ccccc5c5nc6ccccc6c4-5)c4ccccc34)c2)c1
InChIInChI=1S/C52H30N4O.2C45H27N3O/c1-3-19-33-31(15-1)17-13-27-39(33)50-54-51(40-28-14-18-32-16-2-4-20-34(32)40)56-52(55-50)46-37-23-7-5-21-35(37)45(36-22-6-8-24-38(36)46)49-47-41-25-9-11-29-43(41)53-48(47)42-26-10-12-30-44(42)57-49;1-3-15-35-33(13-1)41(32-24-30(28-11-9-21-46-26-28)23-31(25-32)29-12-10-22-47-27-29)34-14-2-4-16-36(34)42(35)45-43-37-17-5-7-19-39(37)48-44(43)38-18-6-8-20-40(38)49-45;1-3-15-28(16-4-1)37-27-38(29-17-5-2-6-18-29)48-45(47-37)41-32-21-9-7-19-30(32)40(31-20-8-10-22-33(31)41)44-42-34-23-11-13-25-36(34)46-43(42)35-24-12-14-26-39(35)49-44/h1-30H;2*1-27H
InChIKeyACRSUKBYPZTSIK-UHFFFAOYSA-N
XLogP37.25
TPSA168.32 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001978.30
LogP ≤ 537.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole with MolForge

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Related Compounds

4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 171583291
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 171585089
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130261906
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662
2-(3-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyridine
CID 134320914
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-pyridin-3-ylpyrimidine
CID 155089111
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171584057
4-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole
CID 122547797
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 171582533
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 130465782
4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 171583574

Frequently Asked Questions

What is the IUPAC name of 6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole?
The IUPAC name of 6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole (CID 157073443) is 6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole.
What is the SMILES notation for 6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole?
The canonical SMILES for 6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-c3c4ccccc4c(-c4oc5ccccc5c5nc6ccccc6c4-5)c4ccccc34)n2)cc1.c1ccc2c(-c3nc(-c4cccc5ccccc45)nc(-c4c5ccccc5c(-c5oc6ccccc6c6nc7ccccc7c5-6)c5ccccc45)n3)cccc2c1.c1cncc(-c2cc(-c3cccnc3)cc(-c3c4ccccc4c(-c4oc5ccccc5c5nc6ccccc6c4-5)c4ccccc34)c2)c1.
What is the InChIKey of 6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole?
The InChIKey is ACRSUKBYPZTSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O.2C45H27N3O/c1-3-19-33-31(15-1)17-13-27-39(33)50-54-51(40-28-14-18-32-16-2-4-20-34(32)40)56-52(55-50)46-37-23-7-5-21-35(37)45(36-22-6-8-24-38(36)46)49-47-41-25-9-11-29-43(41)53-48(47)42-26-10-12-30-44(42)57-49;1-3-15-35-33(13-1)41(32-24-30(28-11-9-21-46-26-28)23-31(25-32)29-12-10-22-47-27-29)34-14-2-4-16-36(34)42(35)45-43-37-17-5-7-19-39(37)48-44(43)38-18-6-8-20-40(38)49-45;1-3-15-28(16-4-1)37-27-38(29-17-5-2-6-18-29)48-45(47-37)41-32-21-9-7-19-30(32)40(31-20-8-10-22-33(31)41)44-42-34-23-11-13-25-36(34)46-43(42)35-24-12-14-26-39(35)49-44/h1-30H;2*1-27H.
What are the key properties of 6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole?
6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole has a molecular weight of 1978.30 g/mol, XLogP of 37.25, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]chromeno[4,3-b]indole;6-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]chromeno[4,3-b]indole is sourced from PubChem (CID 157073443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).