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

C98H64N8 — CID 161187097

IUPAC8-[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
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3cnccc3n4-c3ccccc3)nc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C53H34N4.C45H30N4/c1-4-15-35(16-5-1)47-33-48(37-27-28-49-45(32-37)46-34-54-30-29-50(46)57(49)40-21-8-3-9-22-40)56-53(55-47)39-20-14-19-38(31-39)52-43-25-12-10-23-41(43)51(36-17-6-2-7-18-36)42-24-11-13-26-44(42)52;1-4-10-31(11-5-1)33-16-20-35(21-17-33)41-29-42(48-45(47-41)36-22-18-34(19-23-36)32-12-6-2-7-13-32)37-24-25-43-39(28-37)40-30-46-27-26-44(40)49(43)38-14-8-3-9-15-38/h1-34H;1-30H
InChIKeyUTFMAWYTRFCDAT-UHFFFAOYSA-N
MW1353.65 g/mol
LogP24.91
Rot. Bonds12

About 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

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 (PubChem CID 161187097) has the molecular formula C98H64N8 and a molecular weight of 1353.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID161187097
Molecular FormulaC98H64N8
Molecular Weight1353.65 g/mol
Exact Mass1352.53
IUPAC Name8-[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
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3cnccc3n4-c3ccccc3)nc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C53H34N4.C45H30N4/c1-4-15-35(16-5-1)47-33-48(37-27-28-49-45(32-37)46-34-54-30-29-50(46)57(49)40-21-8-3-9-22-40)56-53(55-47)39-20-14-19-38(31-39)52-43-25-12-10-23-41(43)51(36-17-6-2-7-18-36)42-24-11-13-26-44(42)52;1-4-10-31(11-5-1)33-16-20-35(21-17-33)41-29-42(48-45(47-41)36-22-18-34(19-23-36)32-12-6-2-7-13-32)37-24-25-43-39(28-37)40-30-46-27-26-44(40)49(43)38-14-8-3-9-15-38/h1-34H;1-30H
InChIKeyUTFMAWYTRFCDAT-UHFFFAOYSA-N
XLogP24.91
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001353.65
LogP ≤ 524.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

5-phenyl-8-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]pyrido[4,3-b]indole
CID 118604238
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-[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
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
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
5-phenyl-8-[3-[6-phenyl-2-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole
CID 118968813
5-phenyl-8-[6-phenyl-2-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]pyrimidin-4-yl]pyrido[4,3-b]indole
CID 118968748
8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole
CID 135252602
8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
9-phenyl-3,6-bis(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)carbazole
CID 167146293
9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole
CID 164843390

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc4c(c3)c3cnccc3n4-c3ccccc3)nc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4cnccc4n5-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is UTFMAWYTRFCDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4.C45H30N4/c1-4-15-35(16-5-1)47-33-48(37-27-28-49-45(32-37)46-34-54-30-29-50(46)57(49)40-21-8-3-9-22-40)56-53(55-47)39-20-14-19-38(31-39)52-43-25-12-10-23-41(43)51(36-17-6-2-7-18-36)42-24-11-13-26-44(42)52;1-4-10-31(11-5-1)33-16-20-35(21-17-33)41-29-42(48-45(47-41)36-22-18-34(19-23-36)32-12-6-2-7-13-32)37-24-25-43-39(28-37)40-30-46-27-26-44(40)49(43)38-14-8-3-9-15-38/h1-34H;1-30H.
What are the key properties of 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?
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 has a molecular weight of 1353.65 g/mol, XLogP of 24.91, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161187097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).