2,8-di(carbazol-9-yl)-10-phenylphenoxazine

C42H27N3O — CID 126612244

IUPAC2,8-di(carbazol-9-yl)-10-phenylphenoxazine
SMILESc1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)ccc3Oc3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1
InChIInChI=1S/C42H27N3O/c1-2-12-28(13-3-1)43-39-26-29(44-35-18-8-4-14-31(35)32-15-5-9-19-36(32)44)22-24-41(39)46-42-25-23-30(27-40(42)43)45-37-20-10-6-16-33(37)34-17-7-11-21-38(34)45/h1-27H
InChIKeyGWFCVMLDXJERLW-UHFFFAOYSA-N
MW589.70 g/mol
LogP11.46
Rot. Bonds3

About 2,8-di(carbazol-9-yl)-10-phenylphenoxazine

2,8-di(carbazol-9-yl)-10-phenylphenoxazine (PubChem CID 126612244) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is 2,8-di(carbazol-9-yl)-10-phenylphenoxazine.

Molecular Properties

Compound Name2,8-di(carbazol-9-yl)-10-phenylphenoxazine
PubChem CID126612244
Molecular FormulaC42H27N3O
Molecular Weight589.70 g/mol
Exact Mass589.22
IUPAC Name2,8-di(carbazol-9-yl)-10-phenylphenoxazine
SMILESc1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)ccc3Oc3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1
InChIInChI=1S/C42H27N3O/c1-2-12-28(13-3-1)43-39-26-29(44-35-18-8-4-14-31(35)32-15-5-9-19-36(32)44)22-24-41(39)46-42-25-23-30(27-40(42)43)45-37-20-10-6-16-33(37)34-17-7-11-21-38(34)45/h1-27H
InChIKeyGWFCVMLDXJERLW-UHFFFAOYSA-N
XLogP11.46
TPSA22.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
10-(4-phenoxazin-10-ylphenyl)-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 118442390
2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine
CID 90201700
3-carbazol-9-yl-10-methylphenoxazine
CID 130351981
2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
CID 90201733
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
1-carbazol-9-yl-10-phenylphenoxazine
CID 175123685
12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 118442312
10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]phenoxazine
CID 59372053
3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 122367921
10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 134351848

Frequently Asked Questions

What is the IUPAC name of 2,8-di(carbazol-9-yl)-10-phenylphenoxazine?
The IUPAC name of 2,8-di(carbazol-9-yl)-10-phenylphenoxazine (CID 126612244) is 2,8-di(carbazol-9-yl)-10-phenylphenoxazine.
What is the SMILES notation for 2,8-di(carbazol-9-yl)-10-phenylphenoxazine?
The canonical SMILES for 2,8-di(carbazol-9-yl)-10-phenylphenoxazine is c1ccc(N2c3cc(-n4c5ccccc5c5ccccc54)ccc3Oc3ccc(-n4c5ccccc5c5ccccc54)cc32)cc1.
What is the InChIKey of 2,8-di(carbazol-9-yl)-10-phenylphenoxazine?
The InChIKey is GWFCVMLDXJERLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c1-2-12-28(13-3-1)43-39-26-29(44-35-18-8-4-14-31(35)32-15-5-9-19-36(32)44)22-24-41(39)46-42-25-23-30(27-40(42)43)45-37-20-10-6-16-33(37)34-17-7-11-21-38(34)45/h1-27H.
What are the key properties of 2,8-di(carbazol-9-yl)-10-phenylphenoxazine?
2,8-di(carbazol-9-yl)-10-phenylphenoxazine has a molecular weight of 589.70 g/mol, XLogP of 11.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-di(carbazol-9-yl)-10-phenylphenoxazine is sourced from PubChem (CID 126612244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).