8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole

C128H82N8 — CID 158697190

IUPAC8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4nc(-c5ccc(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)cc5)cc(-c5cccc6ccccc56)n4)cc3)c3ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccncc4c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7cccc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)c7)n6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C65H42N4.C63H40N4/c1-4-15-43(16-5-1)44-31-34-52(35-32-44)69-61-36-33-49(40-57(61)58-42-66-38-37-62(58)69)45-27-29-47(30-28-45)60-41-59(46-17-6-2-7-18-46)67-65(68-60)51-22-14-21-50(39-51)64-55-25-12-10-23-53(55)63(48-19-8-3-9-20-48)54-24-11-13-26-56(54)64;1-3-15-44(16-4-1)61-51-21-9-11-23-53(51)62(54-24-12-10-22-52(54)61)45-30-32-46(33-31-45)63-65-57(39-58(66-63)50-25-13-17-42-14-7-8-20-49(42)50)43-28-26-41(27-29-43)47-34-35-59-55(38-47)56-40-64-37-36-60(56)67(59)48-18-5-2-6-19-48/h1-42H;1-40H
InChIKeyIHCBFHKOIGKPQB-UHFFFAOYSA-N
MW1732.12 g/mol
LogP33.37
Rot. Bonds15

About 8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole

8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole (PubChem CID 158697190) has the molecular formula C128H82N8 and a molecular weight of 1732.12 g/mol. Its IUPAC name is 8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole
PubChem CID158697190
Molecular FormulaC128H82N8
Molecular Weight1732.12 g/mol
Exact Mass1730.67
IUPAC Name8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4nc(-c5ccc(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)cc5)cc(-c5cccc6ccccc56)n4)cc3)c3ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccncc4c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7cccc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)c7)n6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C65H42N4.C63H40N4/c1-4-15-43(16-5-1)44-31-34-52(35-32-44)69-61-36-33-49(40-57(61)58-42-66-38-37-62(58)69)45-27-29-47(30-28-45)60-41-59(46-17-6-2-7-18-46)67-65(68-60)51-22-14-21-50(39-51)64-55-25-12-10-23-53(55)63(48-19-8-3-9-20-48)54-24-11-13-26-56(54)64;1-3-15-44(16-4-1)61-51-21-9-11-23-53(51)62(54-24-12-10-22-52(54)61)45-30-32-46(33-31-45)63-65-57(39-58(66-63)50-25-13-17-42-14-7-8-20-49(42)50)43-28-26-41(27-29-43)47-34-35-59-55(38-47)56-40-64-37-36-60(56)67(59)48-18-5-2-6-19-48/h1-42H;1-40H
InChIKeyIHCBFHKOIGKPQB-UHFFFAOYSA-N
XLogP33.37
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001732.12
LogP ≤ 533.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole with MolForge

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Related Compounds

8-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-phenylpyrido[4,3-b]indole;5-phenyl-8-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]pyrido[4,3-b]indole
CID 161187097
5-phenyl-8-[3-[4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-2-yl]phenyl]pyrido[4,3-b]indole
CID 118968780
5-phenyl-8-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]pyrido[4,3-b]indole
CID 118604238
8-[4-[6-naphthalen-2-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 118968771
5-phenyl-8-[10-[3-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]anthracen-9-yl]pyrido[4,3-b]indole
CID 118968783
8-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole
CID 118968815
9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 58971485
5-phenyl-8-[3-[6-phenyl-2-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole
CID 118968813
8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole;8-(9,10-diphenylanthracen-2-yl)-5-(4-phenylphenyl)pyrido[4,3-b]indole;8-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 158322958
5-phenyl-8-[6-phenyl-2-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]pyrimidin-4-yl]pyrido[4,3-b]indole
CID 118968748
2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511258
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490

Frequently Asked Questions

What is the IUPAC name of 8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole?
The IUPAC name of 8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole (CID 158697190) is 8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole is c1ccc(-c2c3ccccc3c(-c3ccc(-c4nc(-c5ccc(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)cc5)cc(-c5cccc6ccccc56)n4)cc3)c3ccccc23)cc1.c1ccc(-c2ccc(-n3c4ccncc4c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7cccc(-c8c9ccccc9c(-c9ccccc9)c9ccccc89)c7)n6)cc5)ccc43)cc2)cc1.
What is the InChIKey of 8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole?
The InChIKey is IHCBFHKOIGKPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N4.C63H40N4/c1-4-15-43(16-5-1)44-31-34-52(35-32-44)69-61-36-33-49(40-57(61)58-42-66-38-37-62(58)69)45-27-29-47(30-28-45)60-41-59(46-17-6-2-7-18-46)67-65(68-60)51-22-14-21-50(39-51)64-55-25-12-10-23-53(55)63(48-19-8-3-9-20-48)54-24-11-13-26-56(54)64;1-3-15-44(16-4-1)61-51-21-9-11-23-53(51)62(54-24-12-10-22-52(54)61)45-30-32-46(33-31-45)63-65-57(39-58(66-63)50-25-13-17-42-14-7-8-20-49(42)50)43-28-26-41(27-29-43)47-34-35-59-55(38-47)56-40-64-37-36-60(56)67(59)48-18-5-2-6-19-48/h1-42H;1-40H.
What are the key properties of 8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole?
8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole has a molecular weight of 1732.12 g/mol, XLogP of 33.37, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 158697190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).