10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine

C53H34N4O — CID 59372095

IUPAC10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cncc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1
InChIInChI=1S/C53H34N4O/c1-5-17-46-42(13-1)43-14-2-6-18-47(43)56(46)40-30-36(31-41(32-40)57-48-19-7-3-15-44(48)45-16-4-8-20-49(45)57)38-29-37(33-54-34-38)35-25-27-39(28-26-35)55-50-21-9-11-23-52(50)58-53-24-12-10-22-51(53)55/h1-34H
InChIKeyZLRRTPXVOJPXGV-UHFFFAOYSA-N
MW742.88 g/mol
LogP14.19
Rot. Bonds5

About 10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine

10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine (PubChem CID 59372095) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is 10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine
PubChem CID59372095
Molecular FormulaC53H34N4O
Molecular Weight742.88 g/mol
Exact Mass742.27
IUPAC Name10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cncc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1
InChIInChI=1S/C53H34N4O/c1-5-17-46-42(13-1)43-14-2-6-18-47(43)56(46)40-30-36(31-41(32-40)57-48-19-7-3-15-44(48)45-16-4-8-20-49(45)57)38-29-37(33-54-34-38)35-25-27-39(28-26-35)55-50-21-9-11-23-52(50)58-53-24-12-10-22-51(53)55/h1-34H
InChIKeyZLRRTPXVOJPXGV-UHFFFAOYSA-N
XLogP14.19
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine (CID 59372095) is 10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cncc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1.
What is the InChIKey of 10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine?
The InChIKey is ZLRRTPXVOJPXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c1-5-17-46-42(13-1)43-14-2-6-18-47(43)56(46)40-30-36(31-41(32-40)57-48-19-7-3-15-44(48)45-16-4-8-20-49(45)57)38-29-37(33-54-34-38)35-25-27-39(28-26-35)55-50-21-9-11-23-52(50)58-53-24-12-10-22-51(53)55/h1-34H.
What are the key properties of 10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine?
10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine has a molecular weight of 742.88 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine is sourced from PubChem (CID 59372095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).