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

C59H38N4O — CID 59372093

IUPAC10-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cncc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3)c2)cc1
InChIInChI=1S/C59H38N4O/c1-5-17-52-48(13-1)49-14-2-6-18-53(49)62(52)46-34-42(35-47(36-46)63-54-19-7-3-15-50(54)51-16-4-8-20-55(51)63)39-25-27-40(28-26-39)43-33-44(38-60-37-43)41-29-31-45(32-30-41)61-56-21-9-11-23-58(56)64-59-24-12-10-22-57(59)61/h1-38H
InChIKeyPRIORDSUGCSOOJ-UHFFFAOYSA-N
MW818.98 g/mol
LogP15.85
Rot. Bonds6

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

10-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine (PubChem CID 59372093) has the molecular formula C59H38N4O and a molecular weight of 818.98 g/mol. Its IUPAC name is 10-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine
PubChem CID59372093
Molecular FormulaC59H38N4O
Molecular Weight818.98 g/mol
Exact Mass818.30
IUPAC Name10-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cncc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3)c2)cc1
InChIInChI=1S/C59H38N4O/c1-5-17-52-48(13-1)49-14-2-6-18-53(49)62(52)46-34-42(35-47(36-46)63-54-19-7-3-15-50(54)51-16-4-8-20-55(51)63)39-25-27-40(28-26-39)43-33-44(38-60-37-43)41-29-31-45(32-30-41)61-56-21-9-11-23-58(56)64-59-24-12-10-22-57(59)61/h1-38H
InChIKeyPRIORDSUGCSOOJ-UHFFFAOYSA-N
XLogP15.85
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.98
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine (CID 59372093) is 10-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cncc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3)c2)cc1.
What is the InChIKey of 10-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine?
The InChIKey is PRIORDSUGCSOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4O/c1-5-17-52-48(13-1)49-14-2-6-18-53(49)62(52)46-34-42(35-47(36-46)63-54-19-7-3-15-50(54)51-16-4-8-20-55(51)63)39-25-27-40(28-26-39)43-33-44(38-60-37-43)41-29-31-45(32-30-41)61-56-21-9-11-23-58(56)64-59-24-12-10-22-57(59)61/h1-38H.
What are the key properties of 10-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine?
10-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine has a molecular weight of 818.98 g/mol, XLogP of 15.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine is sourced from PubChem (CID 59372093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).