10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine

C32H22N4O — CID 121245421

IUPAC10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine
SMILESC=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1cnc(N2c3ccccc3Oc3ccccc32)nc1
InChIInChI=1S/C32H22N4O/c1-3-21-13-15-26-24(17-21)25-18-22(4-2)14-16-27(25)35(26)23-19-33-32(34-20-23)36-28-9-5-7-11-30(28)37-31-12-8-6-10-29(31)36/h3-20H,1-2H2
InChIKeyBUNQKRUHQNVMFO-UHFFFAOYSA-N
MW478.56 g/mol
LogP8.44
Rot. Bonds4

About 10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine

10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine (PubChem CID 121245421) has the molecular formula C32H22N4O and a molecular weight of 478.56 g/mol. Its IUPAC name is 10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine
PubChem CID121245421
Molecular FormulaC32H22N4O
Molecular Weight478.56 g/mol
Exact Mass478.18
IUPAC Name10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine
SMILESC=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1cnc(N2c3ccccc3Oc3ccccc32)nc1
InChIInChI=1S/C32H22N4O/c1-3-21-13-15-26-24(17-21)25-18-22(4-2)14-16-27(25)35(26)23-19-33-32(34-20-23)36-28-9-5-7-11-30(28)37-31-12-8-6-10-29(31)36/h3-20H,1-2H2
InChIKeyBUNQKRUHQNVMFO-UHFFFAOYSA-N
XLogP8.44
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine?
The IUPAC name of 10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine (CID 121245421) is 10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine.
What is the SMILES notation for 10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine?
The canonical SMILES for 10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine is C=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1cnc(N2c3ccccc3Oc3ccccc32)nc1.
What is the InChIKey of 10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine?
The InChIKey is BUNQKRUHQNVMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4O/c1-3-21-13-15-26-24(17-21)25-18-22(4-2)14-16-27(25)35(26)23-19-33-32(34-20-23)36-28-9-5-7-11-30(28)37-31-12-8-6-10-29(31)36/h3-20H,1-2H2.
What are the key properties of 10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine?
10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine has a molecular weight of 478.56 g/mol, XLogP of 8.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-[3,6-bis(ethenyl)carbazol-9-yl]pyrimidin-2-yl]phenoxazine is sourced from PubChem (CID 121245421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).