3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine

C34H24N2O — CID 134431821

IUPAC3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine
SMILESC1=CCCC(N2c3ccccc3Oc3cc(-c4cccc5c4[nH]c4ccc6ccccc6c45)ccc32)=C1
InChIInChI=1S/C34H24N2O/c1-2-10-24(11-3-1)36-29-15-6-7-16-31(29)37-32-21-23(18-20-30(32)36)26-13-8-14-27-33-25-12-5-4-9-22(25)17-19-28(33)35-34(26)27/h1-2,4-10,12-21,35H,3,11H2
InChIKeyGLDFXPTUPRDCMM-UHFFFAOYSA-N
MW476.58 g/mol
LogP9.62
Rot. Bonds2

About 3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine

3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine (PubChem CID 134431821) has the molecular formula C34H24N2O and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine.

Molecular Properties

Compound Name3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine
PubChem CID134431821
Molecular FormulaC34H24N2O
Molecular Weight476.58 g/mol
Exact Mass476.19
IUPAC Name3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine
SMILESC1=CCCC(N2c3ccccc3Oc3cc(-c4cccc5c4[nH]c4ccc6ccccc6c45)ccc32)=C1
InChIInChI=1S/C34H24N2O/c1-2-10-24(11-3-1)36-29-15-6-7-16-31(29)37-32-21-23(18-20-30(32)36)26-13-8-14-27-33-25-12-5-4-9-22(25)17-19-28(33)35-34(26)27/h1-2,4-10,12-21,35H,3,11H2
InChIKeyGLDFXPTUPRDCMM-UHFFFAOYSA-N
XLogP9.62
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 59.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine?
The IUPAC name of 3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine (CID 134431821) is 3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine.
What is the SMILES notation for 3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine?
The canonical SMILES for 3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine is C1=CCCC(N2c3ccccc3Oc3cc(-c4cccc5c4[nH]c4ccc6ccccc6c45)ccc32)=C1.
What is the InChIKey of 3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine?
The InChIKey is GLDFXPTUPRDCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O/c1-2-10-24(11-3-1)36-29-15-6-7-16-31(29)37-32-21-23(18-20-30(32)36)26-13-8-14-27-33-25-12-5-4-9-22(25)17-19-28(33)35-34(26)27/h1-2,4-10,12-21,35H,3,11H2.
What are the key properties of 3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine?
3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine has a molecular weight of 476.58 g/mol, XLogP of 9.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7H-benzo[g]carbazol-8-yl)-10-cyclohexa-1,3-dien-1-ylphenoxazine is sourced from PubChem (CID 134431821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).