5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole

C56H36N4 — CID 156531320

IUPAC5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc7cc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)ccc67)c5cc43)c2)cc1
InChIInChI=1S/C56H36N4/c1-4-16-37(17-5-1)40-22-14-24-43(33-40)59-52-27-12-10-25-45(52)47-34-48-46-26-11-13-28-53(46)60(55(48)36-54(47)59)51-29-15-23-41-32-42(30-31-44(41)51)56-57-49(38-18-6-2-7-19-38)35-50(58-56)39-20-8-3-9-21-39/h1-36H
InChIKeyQLBLYWHCWIEKJN-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.49
Rot. Bonds6

About 5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole

5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole (PubChem CID 156531320) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole
PubChem CID156531320
Molecular FormulaC56H36N4
Molecular Weight764.93 g/mol
Exact Mass764.29
IUPAC Name5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc7cc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)ccc67)c5cc43)c2)cc1
InChIInChI=1S/C56H36N4/c1-4-16-37(17-5-1)40-22-14-24-43(33-40)59-52-27-12-10-25-45(52)47-34-48-46-26-11-13-28-53(46)60(55(48)36-54(47)59)51-29-15-23-41-32-42(30-31-44(41)51)56-57-49(38-18-6-2-7-19-38)35-50(58-56)39-20-8-3-9-21-39/h1-36H
InChIKeyQLBLYWHCWIEKJN-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

7-phenyl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]indolo[2,3-b]carbazole
CID 149169033
3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 71287049
7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5-naphthalen-1-ylindolo[2,3-b]carbazole;7-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-naphthalen-2-ylindolo[2,3-b]carbazole;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-naphthalen-1-yl-7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
CID 160664721
11-[6-(2,6-diphenyl-4-pyridinyl)naphthalen-1-yl]-5-phenylindolo[3,2-b]carbazole
CID 155240185
5-naphthalen-1-yl-7-[3-[6-phenyl-4-(2-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole;5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-(3-phenylphenyl)-5-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[2,3-b]carbazole;7-(3-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-b]carbazole
CID 159734336
2-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209077
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 155240175
9-(3-phenylphenyl)-2-[3-[4-[2-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole;9-(3-phenylphenyl)-2-[3-[4-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazole;9-(3-phenylphenyl)-2-[3-[4-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 159653116
9-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901397
9-[3-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901389
9-(3-carbazol-9-ylphenyl)-2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 90209079
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;2-[9-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167680798

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole?
The IUPAC name of 5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole (CID 156531320) is 5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole.
What is the SMILES notation for 5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole?
The canonical SMILES for 5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc7cc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)ccc67)c5cc43)c2)cc1.
What is the InChIKey of 5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole?
The InChIKey is QLBLYWHCWIEKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-4-16-37(17-5-1)40-22-14-24-43(33-40)59-52-27-12-10-25-45(52)47-34-48-46-26-11-13-28-53(46)60(55(48)36-54(47)59)51-29-15-23-41-32-42(30-31-44(41)51)56-57-49(38-18-6-2-7-19-38)35-50(58-56)39-20-8-3-9-21-39/h1-36H.
What are the key properties of 5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole?
5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]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-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 156531320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).