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

C56H36N4 — CID 155240746

IUPAC5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4c3)n2)cc1
InChIInChI=1S/C56H36N4/c1-4-16-38(17-5-1)44-22-10-11-23-45(44)50-36-49(39-18-6-2-7-19-39)57-56(58-50)40-29-28-37-30-31-43(35-41(37)34-40)60-51-26-14-12-24-46(51)47-32-33-53-54(55(47)60)48-25-13-15-27-52(48)59(53)42-20-8-3-9-21-42/h1-36H
InChIKeyAPZWAICNGJSFHK-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.49
Rot. Bonds6

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

5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole (PubChem CID 155240746) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole
PubChem CID155240746
Molecular FormulaC56H36N4
Molecular Weight764.93 g/mol
Exact Mass764.29
IUPAC Name5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4c3)n2)cc1
InChIInChI=1S/C56H36N4/c1-4-16-38(17-5-1)44-22-10-11-23-45(44)50-36-49(39-18-6-2-7-19-39)57-56(58-50)40-29-28-37-30-31-43(35-41(37)34-40)60-51-26-14-12-24-46(51)47-32-33-53-54(55(47)60)48-25-13-15-27-52(48)59(53)42-20-8-3-9-21-42/h1-36H
InChIKeyAPZWAICNGJSFHK-UHFFFAOYSA-N
XLogP14.49
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 156530868
5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155240549
5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155240808
12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240814
9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole
CID 140903215
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
5-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole;12-phenyl-5-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]indolo[3,2-c]carbazole
CID 161246731
8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole
CID 134598091
12-[6-(2-naphthalen-2-yl-6-phenyl-4-pyridinyl)naphthalen-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 155240145
5-[6-(4,6-diphenyl-2-pyridinyl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 155241006
12-[7-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[7-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)naphthalen-2-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indolo[2,3-a]carbazole
CID 159811972
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole?
The IUPAC name of 5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole (CID 155240746) is 5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole is c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc4ccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)cc4c3)n2)cc1.
What is the InChIKey of 5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole?
The InChIKey is APZWAICNGJSFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-4-16-38(17-5-1)44-22-10-11-23-45(44)50-36-49(39-18-6-2-7-19-39)57-56(58-50)40-29-28-37-30-31-43(35-41(37)34-40)60-51-26-14-12-24-46(51)47-32-33-53-54(55(47)60)48-25-13-15-27-52(48)59(53)42-20-8-3-9-21-42/h1-36H.
What are the key properties of 5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole?
5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole has a molecular weight of 764.93 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 155240746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).