10-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine

C38H26N4O — CID 121245590

IUPAC10-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine
SMILESC=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1cc(-c2ccnc(N3c4ccccc4Oc4ccccc43)c2)ccn1
InChIInChI=1S/C38H26N4O/c1-3-25-13-15-31-29(21-25)30-22-26(4-2)14-16-32(30)41(31)37-23-27(17-19-39-37)28-18-20-40-38(24-28)42-33-9-5-7-11-35(33)43-36-12-8-6-10-34(36)42/h3-24H,1-2H2
InChIKeyUSDOCXCHPZIKBD-UHFFFAOYSA-N
MW554.65 g/mol
LogP10.10
Rot. Bonds5

About 10-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine

10-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine (PubChem CID 121245590) has the molecular formula C38H26N4O and a molecular weight of 554.65 g/mol. Its IUPAC name is 10-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine
PubChem CID121245590
Molecular FormulaC38H26N4O
Molecular Weight554.65 g/mol
Exact Mass554.21
IUPAC Name10-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine
SMILESC=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1cc(-c2ccnc(N3c4ccccc4Oc4ccccc43)c2)ccn1
InChIInChI=1S/C38H26N4O/c1-3-25-13-15-31-29(21-25)30-22-26(4-2)14-16-32(30)41(31)37-23-27(17-19-39-37)28-18-20-40-38(24-28)42-33-9-5-7-11-35(33)43-36-12-8-6-10-34(36)42/h3-24H,1-2H2
InChIKeyUSDOCXCHPZIKBD-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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Related Compounds

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CID 10386517
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4-[3-[4-(Quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine
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Frequently Asked Questions

What is the IUPAC name of 10-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine?
The IUPAC name of 10-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine (CID 121245590) is 10-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine.
What is the SMILES notation for 10-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine?
The canonical SMILES for 10-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine is C=Cc1ccc2c(c1)c1cc(C=C)ccc1n2-c1cc(-c2ccnc(N3c4ccccc4Oc4ccccc43)c2)ccn1.
What is the InChIKey of 10-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine?
The InChIKey is USDOCXCHPZIKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O/c1-3-25-13-15-31-29(21-25)30-22-26(4-2)14-16-32(30)41(31)37-23-27(17-19-39-37)28-18-20-40-38(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-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine?
10-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-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-[4-[2-[3,6-bis(ethenyl)carbazol-9-yl]-4-pyridinyl]-2-pyridinyl]phenoxazine is sourced from PubChem (CID 121245590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).