5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole

C76H48N6 — CID 155761345

IUPAC5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)n2)cc1
InChIInChI=1S/C76H48N6/c1-5-23-49(24-6-1)64-46-65(50-25-7-2-8-26-50)78-76(77-64)51-41-42-59(71(43-51)82-70-40-22-17-35-58(70)63-45-61-56-33-15-19-37-67(56)80(73(61)48-75(63)82)53-29-11-4-12-30-53)54-31-13-20-38-68(54)81-69-39-21-16-34-57(69)62-44-60-55-32-14-18-36-66(55)79(72(60)47-74(62)81)52-27-9-3-10-28-52/h1-48H
InChIKeyOGVGSYAMLPTHQH-UHFFFAOYSA-N
MW1045.26 g/mol
LogP19.53
Rot. Bonds8

About 5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole

5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 155761345) has the molecular formula C76H48N6 and a molecular weight of 1045.26 g/mol. Its IUPAC name is 5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID155761345
Molecular FormulaC76H48N6
Molecular Weight1045.26 g/mol
Exact Mass1044.39
IUPAC Name5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)n2)cc1
InChIInChI=1S/C76H48N6/c1-5-23-49(24-6-1)64-46-65(50-25-7-2-8-26-50)78-76(77-64)51-41-42-59(71(43-51)82-70-40-22-17-35-58(70)63-45-61-56-33-15-19-37-67(56)80(73(61)48-75(63)82)53-29-11-4-12-30-53)54-31-13-20-38-68(54)81-69-39-21-16-34-57(69)62-44-60-55-32-14-18-36-66(55)79(72(60)47-74(62)81)52-27-9-3-10-28-52/h1-48H
InChIKeyOGVGSYAMLPTHQH-UHFFFAOYSA-N
XLogP19.53
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.26
LogP ≤ 519.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 159261000
9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155463041
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 169060002
3-tert-butyl-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155463309
3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 138515729
7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
CID 169037005
9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 155462612
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142597402
5-phenyl-11-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-b]carbazole
CID 155240922
7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 169037159
5-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 156531320
3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155462942

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole (CID 155761345) is 5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c3)n2)cc1.
What is the InChIKey of 5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is OGVGSYAMLPTHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N6/c1-5-23-49(24-6-1)64-46-65(50-25-7-2-8-26-50)78-76(77-64)51-41-42-59(71(43-51)82-70-40-22-17-35-58(70)63-45-61-56-33-15-19-37-67(56)80(73(61)48-75(63)82)53-29-11-4-12-30-53)54-31-13-20-38-68(54)81-69-39-21-16-34-57(69)62-44-60-55-32-14-18-36-66(55)79(72(60)47-74(62)81)52-27-9-3-10-28-52/h1-48H.
What are the key properties of 5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 1045.26 g/mol, XLogP of 19.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 155761345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).