3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine

C52H32N4O2 — CID 118517036

IUPAC3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine
SMILESc1ccc(-c2cccc(N3c4ccccc4Oc4cc(-c5ccc6oc7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)nc7c6n5)ccc43)c2)cc1
InChIInChI=1S/C52H32N4O2/c1-3-12-33(13-4-1)34-14-11-17-38(30-34)56-44-20-9-10-21-47(44)57-50-32-36(23-27-45(50)56)42-26-29-49-52(54-42)51-48(58-49)28-25-41(53-51)35-22-24-40-39-18-7-8-19-43(39)55(46(40)31-35)37-15-5-2-6-16-37/h1-32H
InChIKeyFTVOLIXRZQYTEK-UHFFFAOYSA-N
MW744.85 g/mol
LogP14.05
Rot. Bonds5

About 3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine

3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine (PubChem CID 118517036) has the molecular formula C52H32N4O2 and a molecular weight of 744.85 g/mol. Its IUPAC name is 3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine.

Molecular Properties

Compound Name3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine
PubChem CID118517036
Molecular FormulaC52H32N4O2
Molecular Weight744.85 g/mol
Exact Mass744.25
IUPAC Name3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine
SMILESc1ccc(-c2cccc(N3c4ccccc4Oc4cc(-c5ccc6oc7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)nc7c6n5)ccc43)c2)cc1
InChIInChI=1S/C52H32N4O2/c1-3-12-33(13-4-1)34-14-11-17-38(30-34)56-44-20-9-10-21-47(44)57-50-32-36(23-27-45(50)56)42-26-29-49-52(54-42)51-48(58-49)28-25-41(53-51)35-22-24-40-39-18-7-8-19-43(39)55(46(40)31-35)37-15-5-2-6-16-37/h1-32H
InChIKeyFTVOLIXRZQYTEK-UHFFFAOYSA-N
XLogP14.05
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.85
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine with MolForge

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Related Compounds

3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine
CID 134475859
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-10-(4-phenylphenyl)phenoxazine
CID 90335790
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122693041
10-dibenzofuran-4-yl-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134476370
4-(5-phenylpyrido[3,2-b]indol-7-yl)-12-(9-phenylpyrido[2,3-b]indol-7-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517053
16-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 164795537
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
CID 134560001
10-(3-phenylphenyl)-4-[3-[9-(3-pyrimidin-2-ylphenyl)carbazol-2-yl]-1,2,4-thiadiazol-5-yl]phenoxazine
CID 146533657
2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine
CID 89369583
11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 129289224

Frequently Asked Questions

What is the IUPAC name of 3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine?
The IUPAC name of 3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine (CID 118517036) is 3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine.
What is the SMILES notation for 3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine?
The canonical SMILES for 3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine is c1ccc(-c2cccc(N3c4ccccc4Oc4cc(-c5ccc6oc7ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)nc7c6n5)ccc43)c2)cc1.
What is the InChIKey of 3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine?
The InChIKey is FTVOLIXRZQYTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O2/c1-3-12-33(13-4-1)34-14-11-17-38(30-34)56-44-20-9-10-21-47(44)57-50-32-36(23-27-45(50)56)42-26-29-49-52(54-42)51-48(58-49)28-25-41(53-51)35-22-24-40-39-18-7-8-19-43(39)55(46(40)31-35)37-15-5-2-6-16-37/h1-32H.
What are the key properties of 3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine?
3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine has a molecular weight of 744.85 g/mol, XLogP of 14.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine is sourced from PubChem (CID 118517036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).