3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine

C76H49N5O2 — CID 159199843

About 3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine

3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine (PubChem CID 159199843) has the molecular formula C76H49N5O2 and a molecular weight of 1064.26 g/mol. Its IUPAC name is 3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine.

Molecular Properties

• Compound Name: 3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine
• PubChem CID: 159199843
• Molecular Formula: C76H49N5O2
• Molecular Weight: 1064.26 g/mol
• Exact Mass: 1063.39
• IUPAC Name: 3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine
• SMILES: c1ccc(-c2cccc3c2oc2c(-n4c5ccccc5c5c6ccn(-c7ccccc7)c6ccc54)cccc23)cc1.c1ccc(-n2ccc3c4c5ccccc5n(-c5cccc(N6c7ccccc7Oc7ccccc76)c5)c4ccc32)cc1
• InChI: InChI=1S/C38H25N3O.C38H24N2O/c1-2-11-26(12-3-1)39-24-23-30-31(39)21-22-35-38(30)29-15-4-5-16-32(29)40(35)27-13-10-14-28(25-27)41-33-17-6-8-19-36(33)42-37-20-9-7-18-34(37)41;1-3-11-25(12-4-1)27-16-9-17-28-29-18-10-20-35(38(29)41-37(27)28)40-33-19-8-7-15-30(33)36-31-23-24-39(26-13-5-2-6-14-26)32(31)21-22-34(36)40/h1-25H;1-24H
• InChIKey: KPDMAUUUSZXFJT-UHFFFAOYSA-N
• XLogP: 20.60
• TPSA: 45.33 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1064.26
LogP ≤ 5	20.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine?

The IUPAC name of 3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine (CID 159199843) is 3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine.

What is the SMILES notation for 3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine?

The canonical SMILES for 3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine is c1ccc(-c2cccc3c2oc2c(-n4c5ccccc5c5c6ccn(-c7ccccc7)c6ccc54)cccc23)cc1.c1ccc(-n2ccc3c4c5ccccc5n(-c5cccc(N6c7ccccc7Oc7ccccc76)c5)c4ccc32)cc1.

What is the InChIKey of 3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine?

The InChIKey is KPDMAUUUSZXFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O.C38H24N2O/c1-2-11-26(12-3-1)39-24-23-30-31(39)21-22-35-38(30)29-15-4-5-16-32(29)40(35)27-13-10-14-28(25-27)41-33-17-6-8-19-36(33)42-37-20-9-7-18-34(37)41;1-3-11-25(12-4-1)27-16-9-17-28-29-18-10-20-35(38(29)41-37(27)28)40-33-19-8-7-15-30(33)36-31-23-24-39(26-13-5-2-6-14-26)32(31)21-22-34(36)40/h1-25H;1-24H.

What are the key properties of 3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine?

3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine has a molecular weight of 1064.26 g/mol, XLogP of 20.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-6-(6-phenyldibenzofuran-4-yl)pyrrolo[2,3-c]carbazole;10-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]phenoxazine is sourced from PubChem (CID 159199843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).