3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole

C52H34N4 — CID 90091060

IUPAC3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)cc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)cc1
InChIInChI=1S/C52H34N4/c1-4-14-35(15-5-1)36-32-39(55-47-22-12-10-20-41(47)51-43-28-30-53(37-16-6-2-7-17-37)45(43)24-26-49(51)55)34-40(33-36)56-48-23-13-11-21-42(48)52-44-29-31-54(38-18-8-3-9-19-38)46(44)25-27-50(52)56/h1-34H
InChIKeyQDGZXFWOGHCXAL-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.44
Rot. Bonds5

About 3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole

3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole (PubChem CID 90091060) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole.

Molecular Properties

Compound Name3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole
PubChem CID90091060
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)cc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)cc1
InChIInChI=1S/C52H34N4/c1-4-14-35(15-5-1)36-32-39(55-47-22-12-10-20-41(47)51-43-28-30-53(37-16-6-2-7-17-37)45(43)24-26-49(51)55)34-40(33-36)56-48-23-13-11-21-42(48)52-44-29-31-54(38-18-8-3-9-19-38)46(44)25-27-50(52)56/h1-34H
InChIKeyQDGZXFWOGHCXAL-UHFFFAOYSA-N
XLogP13.44
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole?
The IUPAC name of 3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole (CID 90091060) is 3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole.
What is the SMILES notation for 3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole?
The canonical SMILES for 3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)cc(-n3c4ccccc4c4c5ccn(-c6ccccc6)c5ccc43)c2)cc1.
What is the InChIKey of 3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole?
The InChIKey is QDGZXFWOGHCXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-4-14-35(15-5-1)36-32-39(55-47-22-12-10-20-41(47)51-43-28-30-53(37-16-6-2-7-17-37)45(43)24-26-49(51)55)34-40(33-36)56-48-23-13-11-21-42(48)52-44-29-31-54(38-18-8-3-9-19-38)46(44)25-27-50(52)56/h1-34H.
What are the key properties of 3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole?
3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole has a molecular weight of 714.87 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole is sourced from PubChem (CID 90091060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).