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

C38H26N4O — CID 121245509

IUPAC10-[5-[6-[3,6-bis(ethenyl)carbazol-9-yl]-3-pyridinyl]-2-pyridinyl]phenoxazine
SMILESC=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)nc2)cn1
InChIInChI=1S/C38H26N4O/c1-3-25-13-17-31-29(21-25)30-22-26(4-2)14-18-32(30)41(31)37-19-15-27(23-39-37)28-16-20-38(40-24-28)42-33-9-5-7-11-35(33)43-36-12-8-6-10-34(36)42/h3-24H,1-2H2
InChIKeyFVDRYXKEECGUCW-UHFFFAOYSA-N
MW554.65 g/mol
LogP10.10
Rot. Bonds5

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

10-[5-[6-[3,6-bis(ethenyl)carbazol-9-yl]-3-pyridinyl]-2-pyridinyl]phenoxazine (PubChem CID 121245509) has the molecular formula C38H26N4O and a molecular weight of 554.65 g/mol. Its IUPAC name is 10-[5-[6-[3,6-bis(ethenyl)carbazol-9-yl]-3-pyridinyl]-2-pyridinyl]phenoxazine.

Molecular Properties

Compound Name10-[5-[6-[3,6-bis(ethenyl)carbazol-9-yl]-3-pyridinyl]-2-pyridinyl]phenoxazine
PubChem CID121245509
Molecular FormulaC38H26N4O
Molecular Weight554.65 g/mol
Exact Mass554.21
IUPAC Name10-[5-[6-[3,6-bis(ethenyl)carbazol-9-yl]-3-pyridinyl]-2-pyridinyl]phenoxazine
SMILESC=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)nc2)cn1
InChIInChI=1S/C38H26N4O/c1-3-25-13-17-31-29(21-25)30-22-26(4-2)14-18-32(30)41(31)37-19-15-27(23-39-37)28-16-20-38(40-24-28)42-33-9-5-7-11-35(33)43-36-12-8-6-10-34(36)42/h3-24H,1-2H2
InChIKeyFVDRYXKEECGUCW-UHFFFAOYSA-N
XLogP10.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[5-[6-[3,6-bis(ethenyl)carbazol-9-yl]-3-pyridinyl]-2-pyridinyl]phenoxazine?
The IUPAC name of 10-[5-[6-[3,6-bis(ethenyl)carbazol-9-yl]-3-pyridinyl]-2-pyridinyl]phenoxazine (CID 121245509) is 10-[5-[6-[3,6-bis(ethenyl)carbazol-9-yl]-3-pyridinyl]-2-pyridinyl]phenoxazine.
What is the SMILES notation for 10-[5-[6-[3,6-bis(ethenyl)carbazol-9-yl]-3-pyridinyl]-2-pyridinyl]phenoxazine?
The canonical SMILES for 10-[5-[6-[3,6-bis(ethenyl)carbazol-9-yl]-3-pyridinyl]-2-pyridinyl]phenoxazine is C=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)nc2)cn1.
What is the InChIKey of 10-[5-[6-[3,6-bis(ethenyl)carbazol-9-yl]-3-pyridinyl]-2-pyridinyl]phenoxazine?
The InChIKey is FVDRYXKEECGUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O/c1-3-25-13-17-31-29(21-25)30-22-26(4-2)14-18-32(30)41(31)37-19-15-27(23-39-37)28-16-20-38(40-24-28)42-33-9-5-7-11-35(33)43-36-12-8-6-10-34(36)42/h3-24H,1-2H2.
What are the key properties of 10-[5-[6-[3,6-bis(ethenyl)carbazol-9-yl]-3-pyridinyl]-2-pyridinyl]phenoxazine?
10-[5-[6-[3,6-bis(ethenyl)carbazol-9-yl]-3-pyridinyl]-2-pyridinyl]phenoxazine has a molecular weight of 554.65 g/mol, XLogP of 10.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-[6-[3,6-bis(ethenyl)carbazol-9-yl]-3-pyridinyl]-2-pyridinyl]phenoxazine is sourced from PubChem (CID 121245509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).