10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine

C54H35N3O2 — CID 20607965

IUPAC10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine
SMILESc1ccc(-n2c3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C54H35N3O2/c1-2-12-40(13-3-1)55-45-32-26-38(36-22-28-41(29-23-36)56-47-14-4-8-18-51(47)58-52-19-9-5-15-48(52)56)34-43(45)44-35-39(27-33-46(44)55)37-24-30-42(31-25-37)57-49-16-6-10-20-53(49)59-54-21-11-7-17-50(54)57/h1-35H
InChIKeyXJHGKJDAYJSPRK-UHFFFAOYSA-N
MW757.89 g/mol
LogP15.27
Rot. Bonds5

About 10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine

10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine (PubChem CID 20607965) has the molecular formula C54H35N3O2 and a molecular weight of 757.89 g/mol. Its IUPAC name is 10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine
PubChem CID20607965
Molecular FormulaC54H35N3O2
Molecular Weight757.89 g/mol
Exact Mass757.27
IUPAC Name10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine
SMILESc1ccc(-n2c3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C54H35N3O2/c1-2-12-40(13-3-1)55-45-32-26-38(36-22-28-41(29-23-36)56-47-14-4-8-18-51(47)58-52-19-9-5-15-48(52)56)34-43(45)44-35-39(27-33-46(44)55)37-24-30-42(31-25-37)57-49-16-6-10-20-53(49)59-54-21-11-7-17-50(54)57/h1-35H
InChIKeyXJHGKJDAYJSPRK-UHFFFAOYSA-N
XLogP15.27
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.89
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine (CID 20607965) is 10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine is c1ccc(-n2c3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccc32)cc1.
What is the InChIKey of 10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine?
The InChIKey is XJHGKJDAYJSPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O2/c1-2-12-40(13-3-1)55-45-32-26-38(36-22-28-41(29-23-36)56-47-14-4-8-18-51(47)58-52-19-9-5-15-48(52)56)34-43(45)44-35-39(27-33-46(44)55)37-24-30-42(31-25-37)57-49-16-6-10-20-53(49)59-54-21-11-7-17-50(54)57/h1-35H.
What are the key properties of 10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine?
10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine has a molecular weight of 757.89 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine is sourced from PubChem (CID 20607965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).