5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole

C50H32N4 — CID 155631323

IUPAC5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc6ccccc56)c34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H32N4/c1-3-17-34(18-4-1)41-32-42(52-50(51-41)35-19-5-2-6-20-35)39-24-10-13-27-45(39)53-46-28-14-11-25-40(46)48-47(53)31-30-38-37-23-9-12-26-44(37)54(49(38)48)43-29-15-21-33-16-7-8-22-36(33)43/h1-32H
InChIKeyRPJIAXDSYVYNJF-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.82
Rot. Bonds5

About 5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole

5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole (PubChem CID 155631323) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole
PubChem CID155631323
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc6ccccc56)c34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H32N4/c1-3-17-34(18-4-1)41-32-42(52-50(51-41)35-19-5-2-6-20-35)39-24-10-13-27-45(39)53-46-28-14-11-25-40(46)48-47(53)31-30-38-37-23-9-12-26-44(37)54(49(38)48)43-29-15-21-33-16-7-8-22-36(33)43/h1-32H
InChIKeyRPJIAXDSYVYNJF-UHFFFAOYSA-N
XLogP12.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240323
12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 155240321
5-naphthalen-1-yl-12-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(3-phenylphenyl)-12-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 159221597
5-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018
5-[5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 157484056
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 158616236
5-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 146573174
5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155463086
12-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]indolo[3,2-c]carbazole;12-phenyl-5-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole
CID 161348228
5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597921
5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155240549
5-naphthalen-1-yl-12-(6-phenylnaphthalen-1-yl)indolo[3,2-c]carbazole
CID 142482126

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole?
The IUPAC name of 5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole (CID 155631323) is 5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole is c1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc6ccccc56)c34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole?
The InChIKey is RPJIAXDSYVYNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-3-17-34(18-4-1)41-32-42(52-50(51-41)35-19-5-2-6-20-35)39-24-10-13-27-45(39)53-46-28-14-11-25-40(46)48-47(53)31-30-38-37-23-9-12-26-44(37)54(49(38)48)43-29-15-21-33-16-7-8-22-36(33)43/h1-32H.
What are the key properties of 5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole?
5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole has a molecular weight of 688.83 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole is sourced from PubChem (CID 155631323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).