8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine

C27H22N2O — CID 142288247

IUPAC8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine
SMILESCN1C2=C(C=CC(C)(n3c4ccccc4c4ccccc43)C=C2)Oc2ccccc21
InChIInChI=1S/C27H22N2O/c1-27(29-21-11-5-3-9-19(21)20-10-4-6-12-22(20)29)17-15-24-26(16-18-27)30-25-14-8-7-13-23(25)28(24)2/h3-18H,1-2H3
InChIKeyCECMYOGMSKUQSV-UHFFFAOYSA-N
MW390.49 g/mol
LogP6.38
Rot. Bonds1

About 8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine

8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine (PubChem CID 142288247) has the molecular formula C27H22N2O and a molecular weight of 390.49 g/mol. Its IUPAC name is 8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine.

Molecular Properties

Compound Name8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine
PubChem CID142288247
Molecular FormulaC27H22N2O
Molecular Weight390.49 g/mol
Exact Mass390.17
IUPAC Name8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine
SMILESCN1C2=C(C=CC(C)(n3c4ccccc4c4ccccc43)C=C2)Oc2ccccc21
InChIInChI=1S/C27H22N2O/c1-27(29-21-11-5-3-9-19(21)20-10-4-6-12-22(20)29)17-15-24-26(16-18-27)30-25-14-8-7-13-23(25)28(24)2/h3-18H,1-2H3
InChIKeyCECMYOGMSKUQSV-UHFFFAOYSA-N
XLogP6.38
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-10-methylphenoxazine
CID 130351981
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
(2E)-2-ethylidene-3-methyl-1,3-benzoxazole
CID 143296132
10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine
CID 118605227
(1Z,3Z)-1,3-bis(3-methyl-1,3-benzoxazol-2-ylidene)propan-2-one
CID 58705031
10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]phenoxazine
CID 59372053
1-carbazol-9-yl-10-phenylphenoxazine
CID 175123685
21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene
CID 165066017
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 135140118
12-methyl-9-(10-methylphenoxazin-2-yl)benzo[b]phenoxazine
CID 155421136
7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one
CID 54128793

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine?
The IUPAC name of 8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine (CID 142288247) is 8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine.
What is the SMILES notation for 8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine?
The canonical SMILES for 8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine is CN1C2=C(C=CC(C)(n3c4ccccc4c4ccccc43)C=C2)Oc2ccccc21.
What is the InChIKey of 8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine?
The InChIKey is CECMYOGMSKUQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O/c1-27(29-21-11-5-3-9-19(21)20-10-4-6-12-22(20)29)17-15-24-26(16-18-27)30-25-14-8-7-13-23(25)28(24)2/h3-18H,1-2H3.
What are the key properties of 8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine?
8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine has a molecular weight of 390.49 g/mol, XLogP of 6.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbazol-9-yl-8,11-dimethylcyclohepta[b][1,4]benzoxazine is sourced from PubChem (CID 142288247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).