4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine

C190H123N15 — CID 157409017

IUPAC4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5cc(-c6ccc(-c7nc8ccccc8c8ccc9c(nc(-c%10ccccc%10)n9-c9ccccc9)c78)cc6)ccc5c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6nc7ccccc7c7ccc8c(nc(-c9ccccc9)n8-c8ccccc8)c67)cc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6nc7ccccc7c7ccc8c(nc(-c9ccccc9)n8-c8ccccc8)c67)cc5)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C66H43N5.C64H41N5.C60H39N5/c1-5-17-44(18-6-1)51-23-15-25-53(41-51)60-43-59(68-65(69-60)54-26-16-24-52(42-54)45-19-7-2-8-20-45)48-35-31-46(32-36-48)47-33-37-49(38-34-47)63-62-57(56-29-13-14-30-58(56)67-63)39-40-61-64(62)70-66(50-21-9-3-10-22-50)71(61)55-27-11-4-12-28-55;1-5-15-42(16-6-1)43-25-29-45(30-26-43)57-41-58(67-63(66-57)47-17-7-2-8-18-47)52-36-35-50-39-49(33-34-51(50)40-52)44-27-31-46(32-28-44)61-60-55(54-23-13-14-24-56(54)65-61)37-38-59-62(60)68-64(48-19-9-3-10-20-48)69(59)53-21-11-4-12-22-53;1-5-16-40(17-6-1)47-22-15-23-48(38-47)54-39-53(62-59(63-54)45-18-7-2-8-19-45)43-32-28-41(29-33-43)42-30-34-44(35-31-42)57-56-51(50-26-13-14-27-52(50)61-57)36-37-55-58(56)64-60(46-20-9-3-10-21-46)65(55)49-24-11-4-12-25-49/h1-43H;1-41H;1-39H
InChIKeyBOBGCVFFQMDNPY-UHFFFAOYSA-N
MW2616.18 g/mol
LogP48.38
Rot. Bonds25

About 4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine

4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine (PubChem CID 157409017) has the molecular formula C190H123N15 and a molecular weight of 2616.18 g/mol. Its IUPAC name is 4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine.

Molecular Properties

Compound Name4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine
PubChem CID157409017
Molecular FormulaC190H123N15
Molecular Weight2616.18 g/mol
Exact Mass2614.01
IUPAC Name4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5cc(-c6ccc(-c7nc8ccccc8c8ccc9c(nc(-c%10ccccc%10)n9-c9ccccc9)c78)cc6)ccc5c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6nc7ccccc7c7ccc8c(nc(-c9ccccc9)n8-c8ccccc8)c67)cc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6nc7ccccc7c7ccc8c(nc(-c9ccccc9)n8-c8ccccc8)c67)cc5)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C66H43N5.C64H41N5.C60H39N5/c1-5-17-44(18-6-1)51-23-15-25-53(41-51)60-43-59(68-65(69-60)54-26-16-24-52(42-54)45-19-7-2-8-20-45)48-35-31-46(32-36-48)47-33-37-49(38-34-47)63-62-57(56-29-13-14-30-58(56)67-63)39-40-61-64(62)70-66(50-21-9-3-10-22-50)71(61)55-27-11-4-12-28-55;1-5-15-42(16-6-1)43-25-29-45(30-26-43)57-41-58(67-63(66-57)47-17-7-2-8-18-47)52-36-35-50-39-49(33-34-51(50)40-52)44-27-31-46(32-28-44)61-60-55(54-23-13-14-24-56(54)65-61)37-38-59-62(60)68-64(48-19-9-3-10-20-48)69(59)53-21-11-4-12-22-53;1-5-16-40(17-6-1)47-22-15-23-48(38-47)54-39-53(62-59(63-54)45-18-7-2-8-19-45)43-32-28-41(29-33-43)42-30-34-44(35-31-42)57-56-51(50-26-13-14-27-52(50)61-57)36-37-55-58(56)64-60(46-20-9-3-10-21-46)65(55)49-24-11-4-12-25-49/h1-43H;1-41H;1-39H
InChIKeyBOBGCVFFQMDNPY-UHFFFAOYSA-N
XLogP48.38
TPSA169.47 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002616.18
LogP ≤ 548.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine with MolForge

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Related Compounds

1,2-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]imidazo[4,5-i]phenanthridine
CID 139498575
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498872
1,2-diphenyl-4-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 139498645
4-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 162128056
1,2-diphenyl-4-[4-[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 139498536
4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 159870424
4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine
CID 161373189
4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 161353496
2-ethyl-1-phenyl-4-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 147980040
4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498588
4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139499068
4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine
CID 147184312

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine?
The IUPAC name of 4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine (CID 157409017) is 4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine.
What is the SMILES notation for 4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine?
The canonical SMILES for 4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine is c1ccc(-c2ccc(-c3cc(-c4ccc5cc(-c6ccc(-c7nc8ccccc8c8ccc9c(nc(-c%10ccccc%10)n9-c9ccccc9)c78)cc6)ccc5c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6nc7ccccc7c7ccc8c(nc(-c9ccccc9)n8-c8ccccc8)c67)cc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6nc7ccccc7c7ccc8c(nc(-c9ccccc9)n8-c8ccccc8)c67)cc5)cc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine?
The InChIKey is BOBGCVFFQMDNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N5.C64H41N5.C60H39N5/c1-5-17-44(18-6-1)51-23-15-25-53(41-51)60-43-59(68-65(69-60)54-26-16-24-52(42-54)45-19-7-2-8-20-45)48-35-31-46(32-36-48)47-33-37-49(38-34-47)63-62-57(56-29-13-14-30-58(56)67-63)39-40-61-64(62)70-66(50-21-9-3-10-22-50)71(61)55-27-11-4-12-28-55;1-5-15-42(16-6-1)43-25-29-45(30-26-43)57-41-58(67-63(66-57)47-17-7-2-8-18-47)52-36-35-50-39-49(33-34-51(50)40-52)44-27-31-46(32-28-44)61-60-55(54-23-13-14-24-56(54)65-61)37-38-59-62(60)68-64(48-19-9-3-10-20-48)69(59)53-21-11-4-12-22-53;1-5-16-40(17-6-1)47-22-15-23-48(38-47)54-39-53(62-59(63-54)45-18-7-2-8-19-45)43-32-28-41(29-33-43)42-30-34-44(35-31-42)57-56-51(50-26-13-14-27-52(50)61-57)36-37-55-58(56)64-60(46-20-9-3-10-21-46)65(55)49-24-11-4-12-25-49/h1-43H;1-41H;1-39H.
What are the key properties of 4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine?
4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine has a molecular weight of 2616.18 g/mol, XLogP of 48.38, 25 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine is sourced from PubChem (CID 157409017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).