10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine

C56H34N8O — CID 150606085

IUPAC10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine
SMILESc1ccc(-c2c(-n3c4ccccc4c4ccncc43)c(N3c4ccccc4Oc4ccccc43)nc(-n3c4ccccc4c4ccncc43)c2-n2c3ccccc3c3ccncc32)cc1
InChIInChI=1S/C56H34N8O/c1-2-14-35(15-3-1)52-53(61-42-19-7-4-16-36(42)39-26-29-57-32-47(39)61)55(63-44-21-9-6-18-38(44)41-28-31-59-34-49(41)63)60-56(64-45-22-10-12-24-50(45)65-51-25-13-11-23-46(51)64)54(52)62-43-20-8-5-17-37(43)40-27-30-58-33-48(40)62/h1-34H
InChIKeyISXDTMYICVXOIT-UHFFFAOYSA-N
MW834.94 g/mol
LogP13.80
Rot. Bonds5

About 10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine

10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine (PubChem CID 150606085) has the molecular formula C56H34N8O and a molecular weight of 834.94 g/mol. Its IUPAC name is 10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine.

Molecular Properties

Compound Name10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine
PubChem CID150606085
Molecular FormulaC56H34N8O
Molecular Weight834.94 g/mol
Exact Mass834.29
IUPAC Name10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine
SMILESc1ccc(-c2c(-n3c4ccccc4c4ccncc43)c(N3c4ccccc4Oc4ccccc43)nc(-n3c4ccccc4c4ccncc43)c2-n2c3ccccc3c3ccncc32)cc1
InChIInChI=1S/C56H34N8O/c1-2-14-35(15-3-1)52-53(61-42-19-7-4-16-36(42)39-26-29-57-32-47(39)61)55(63-44-21-9-6-18-38(44)41-28-31-59-34-49(41)63)60-56(64-45-22-10-12-24-50(45)65-51-25-13-11-23-46(51)64)54(52)62-43-20-8-5-17-37(43)40-27-30-58-33-48(40)62/h1-34H
InChIKeyISXDTMYICVXOIT-UHFFFAOYSA-N
XLogP13.80
TPSA78.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.94
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine?
The IUPAC name of 10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine (CID 150606085) is 10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine.
What is the SMILES notation for 10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine?
The canonical SMILES for 10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine is c1ccc(-c2c(-n3c4ccccc4c4ccncc43)c(N3c4ccccc4Oc4ccccc43)nc(-n3c4ccccc4c4ccncc43)c2-n2c3ccccc3c3ccncc32)cc1.
What is the InChIKey of 10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine?
The InChIKey is ISXDTMYICVXOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N8O/c1-2-14-35(15-3-1)52-53(61-42-19-7-4-16-36(42)39-26-29-57-32-47(39)61)55(63-44-21-9-6-18-38(44)41-28-31-59-34-49(41)63)60-56(64-45-22-10-12-24-50(45)65-51-25-13-11-23-46(51)64)54(52)62-43-20-8-5-17-37(43)40-27-30-58-33-48(40)62/h1-34H.
What are the key properties of 10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine?
10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine has a molecular weight of 834.94 g/mol, XLogP of 13.80, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-phenyl-3,5,6-tris(pyrido[3,4-b]indol-9-yl)-2-pyridinyl]phenoxazine is sourced from PubChem (CID 150606085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).