3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole

C46H30N4 — CID 164788234

IUPAC3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccc(-c7ccccc7)cc6n(-c6ncc(-c7ccccc7)cn6)c5cc43)cc2)cc1
InChIInChI=1S/C46H30N4/c1-4-12-31(13-5-1)34-20-23-37(24-21-34)49-42-19-11-10-18-38(42)40-27-41-39-25-22-35(32-14-6-2-7-15-32)26-43(39)50(45(41)28-44(40)49)46-47-29-36(30-48-46)33-16-8-3-9-17-33/h1-30H
InChIKeyNKMGVUVQBYTTMQ-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.67
Rot. Bonds5

About 3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole

3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole (PubChem CID 164788234) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole
PubChem CID164788234
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccc(-c7ccccc7)cc6n(-c6ncc(-c7ccccc7)cn6)c5cc43)cc2)cc1
InChIInChI=1S/C46H30N4/c1-4-12-31(13-5-1)34-20-23-37(24-21-34)49-42-19-11-10-18-38(42)40-27-41-39-25-22-35(32-14-6-2-7-15-32)26-43(39)50(45(41)28-44(40)49)46-47-29-36(30-48-46)33-16-8-3-9-17-33/h1-30H
InChIKeyNKMGVUVQBYTTMQ-UHFFFAOYSA-N
XLogP11.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-phenylphenyl)-11-(5-phenylpyrimidin-2-yl)indolo[3,2-b]carbazole
CID 155139599
3-(9-phenylcarbazol-3-yl)-9-[5-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086331
3-[9-(4-phenoxyphenyl)carbazol-3-yl]-9-[5-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 90086423
7-(4-dibenzofuran-1-ylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole
CID 155139462
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
7-phenyl-5-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-b]carbazole
CID 134168539
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole?
The IUPAC name of 3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole (CID 164788234) is 3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole.
What is the SMILES notation for 3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole?
The canonical SMILES for 3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc5c6ccc(-c7ccccc7)cc6n(-c6ncc(-c7ccccc7)cn6)c5cc43)cc2)cc1.
What is the InChIKey of 3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole?
The InChIKey is NKMGVUVQBYTTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-4-12-31(13-5-1)34-20-23-37(24-21-34)49-42-19-11-10-18-38(42)40-27-41-39-25-22-35(32-14-6-2-7-15-32)26-43(39)50(45(41)28-44(40)49)46-47-29-36(30-48-46)33-16-8-3-9-17-33/h1-30H.
What are the key properties of 3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole?
3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole has a molecular weight of 638.77 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-(4-phenylphenyl)-5-(5-phenylpyrimidin-2-yl)indolo[2,3-b]carbazole is sourced from PubChem (CID 164788234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).