10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine

C66H43N3O2 — CID 139312569

IUPAC10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c3c(c2)c2cc(-c4ccccc4)cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c2n3-c2ccccc2)cc1
InChIInChI=1S/C66H43N3O2/c1-4-18-44(19-5-1)48-40-53(46-32-36-51(37-33-46)67-57-24-10-14-28-61(57)70-62-29-15-11-25-58(62)67)65-55(42-48)56-43-49(45-20-6-2-7-21-45)41-54(66(56)69(65)50-22-8-3-9-23-50)47-34-38-52(39-35-47)68-59-26-12-16-30-63(59)71-64-31-17-13-27-60(64)68/h1-43H
InChIKeyHBFBQMRKZNRECZ-UHFFFAOYSA-N
MW910.09 g/mol
LogP18.60
Rot. Bonds7

About 10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine

10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine (PubChem CID 139312569) has the molecular formula C66H43N3O2 and a molecular weight of 910.09 g/mol. Its IUPAC name is 10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine
PubChem CID139312569
Molecular FormulaC66H43N3O2
Molecular Weight910.09 g/mol
Exact Mass909.34
IUPAC Name10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c3c(c2)c2cc(-c4ccccc4)cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c2n3-c2ccccc2)cc1
InChIInChI=1S/C66H43N3O2/c1-4-18-44(19-5-1)48-40-53(46-32-36-51(37-33-46)67-57-24-10-14-28-61(57)70-62-29-15-11-25-58(62)67)65-55(42-48)56-43-49(45-20-6-2-7-21-45)41-54(66(56)69(65)50-22-8-3-9-23-50)47-34-38-52(39-35-47)68-59-26-12-16-30-63(59)71-64-31-17-13-27-60(64)68/h1-43H
InChIKeyHBFBQMRKZNRECZ-UHFFFAOYSA-N
XLogP18.60
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.09
LogP ≤ 518.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
1,8-bis[3-(3,5-diphenylphenyl)phenyl]-9-methylcarbazole;1,8-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole;10-[3-[9-methyl-8-(3-phenoxazin-10-ylphenyl)carbazol-1-yl]phenyl]phenoxazine;10-[4-[9-methyl-8-(4-phenoxazin-10-ylphenyl)carbazol-1-yl]phenyl]phenoxazine
CID 157430617
2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one
CID 137401641
10-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795391
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]phenoxazine
CID 59372053
10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 165088278
1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole
CID 139311565
ethane;10-phenylphenoxazine
CID 123756019

Frequently Asked Questions

What is the IUPAC name of 10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine (CID 139312569) is 10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine is c1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c3c(c2)c2cc(-c4ccccc4)cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c2n3-c2ccccc2)cc1.
What is the InChIKey of 10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine?
The InChIKey is HBFBQMRKZNRECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3O2/c1-4-18-44(19-5-1)48-40-53(46-32-36-51(37-33-46)67-57-24-10-14-28-61(57)70-62-29-15-11-25-58(62)67)65-55(42-48)56-43-49(45-20-6-2-7-21-45)41-54(66(56)69(65)50-22-8-3-9-23-50)47-34-38-52(39-35-47)68-59-26-12-16-30-63(59)71-64-31-17-13-27-60(64)68/h1-43H.
What are the key properties of 10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine?
10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine has a molecular weight of 910.09 g/mol, XLogP of 18.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine is sourced from PubChem (CID 139312569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).