5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole

C110H70N8 — CID 160820077

IUPAC5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c5ccccc5c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccc4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc4c3)n2)cc1
InChIInChI=1S/C56H36N4.C54H34N4/c1-4-17-37(18-5-1)39-22-16-23-41(33-39)49-36-48(38-19-6-2-7-20-38)57-56(58-49)42-34-40-21-10-11-26-44(40)53(35-42)60-51-30-15-13-28-47(51)54-52(60)32-31-46-45-27-12-14-29-50(45)59(55(46)54)43-24-8-3-9-25-43;1-3-14-37(15-4-1)54-55-47(39-25-23-35-13-7-8-16-38(35)31-39)34-48(56-54)40-26-24-36-27-28-43(33-41(36)32-40)57-50-22-12-10-20-46(50)52-51(57)30-29-45-44-19-9-11-21-49(44)58(53(45)52)42-17-5-2-6-18-42/h1-36H;1-34H
InChIKeySFKRSBJGBBVUAV-UHFFFAOYSA-N
MW1503.83 g/mol
LogP28.47
Rot. Bonds11

About 5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole

5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole (PubChem CID 160820077) has the molecular formula C110H70N8 and a molecular weight of 1503.83 g/mol. Its IUPAC name is 5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole
PubChem CID160820077
Molecular FormulaC110H70N8
Molecular Weight1503.83 g/mol
Exact Mass1502.57
IUPAC Name5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c5ccccc5c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccc4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc4c3)n2)cc1
InChIInChI=1S/C56H36N4.C54H34N4/c1-4-17-37(18-5-1)39-22-16-23-41(33-39)49-36-48(38-19-6-2-7-20-38)57-56(58-49)42-34-40-21-10-11-26-44(40)53(35-42)60-51-30-15-13-28-47(51)54-52(60)32-31-46-45-27-12-14-29-50(45)59(55(46)54)43-24-8-3-9-25-43;1-3-14-37(15-4-1)54-55-47(39-25-23-35-13-7-8-16-38(35)31-39)34-48(56-54)40-26-24-36-27-28-43(33-41(36)32-40)57-50-22-12-10-20-46(50)52-51(57)30-29-45-44-19-9-11-21-49(44)58(53(45)52)42-17-5-2-6-18-42/h1-36H;1-34H
InChIKeySFKRSBJGBBVUAV-UHFFFAOYSA-N
XLogP28.47
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms118
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001503.83
LogP ≤ 528.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole?
The IUPAC name of 5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole (CID 160820077) is 5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c5ccccc5c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)cc(-c3ccc4ccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)cc4c3)n2)cc1.
What is the InChIKey of 5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole?
The InChIKey is SFKRSBJGBBVUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4.C54H34N4/c1-4-17-37(18-5-1)39-22-16-23-41(33-39)49-36-48(38-19-6-2-7-20-38)57-56(58-49)42-34-40-21-10-11-26-44(40)53(35-42)60-51-30-15-13-28-47(51)54-52(60)32-31-46-45-27-12-14-29-50(45)59(55(46)54)43-24-8-3-9-25-43;1-3-14-37(15-4-1)54-55-47(39-25-23-35-13-7-8-16-38(35)31-39)34-48(56-54)40-26-24-36-27-28-43(33-41(36)32-40)57-50-22-12-10-20-46(50)52-51(57)30-29-45-44-19-9-11-21-49(44)58(53(45)52)42-17-5-2-6-18-42/h1-36H;1-34H.
What are the key properties of 5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole?
5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole has a molecular weight of 1503.83 g/mol, XLogP of 28.47, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 160820077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).