10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine

C54H37NO — CID 140898462

IUPAC10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)Oc3cc(-c5ccc(-c6ccccc6)cc5)ccc3N4c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H37NO/c1-5-14-38(15-6-1)40-24-28-42(29-25-40)46-32-34-50-52(36-46)56-53-37-47(43-30-26-41(27-31-43)39-16-7-2-8-17-39)33-35-51(53)55(50)54-48(44-18-9-3-10-19-44)22-13-23-49(54)45-20-11-4-12-21-45/h1-37H
InChIKeyXJLLKOUIHAKCAT-UHFFFAOYSA-N
MW715.90 g/mol
LogP15.26
Rot. Bonds7

About 10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine

10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine (PubChem CID 140898462) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine.

Molecular Properties

Compound Name10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine
PubChem CID140898462
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC Name10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)Oc3cc(-c5ccc(-c6ccccc6)cc5)ccc3N4c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H37NO/c1-5-14-38(15-6-1)40-24-28-42(29-25-40)46-32-34-50-52(36-46)56-53-37-47(43-30-26-41(27-31-43)39-16-7-2-8-17-39)33-35-51(53)55(50)54-48(44-18-9-3-10-19-44)22-13-23-49(54)45-20-11-4-12-21-45/h1-37H
InChIKeyXJLLKOUIHAKCAT-UHFFFAOYSA-N
XLogP15.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 515.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-5-phenylphenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 134552129
11-(4-phenylphenyl)-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;11-[4-(2-phenylphenyl)phenyl]-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;11-[4-(3-phenylphenyl)phenyl]-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 162167397
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
2-(2,6-diphenylphenyl)-12,12,20,20-tetramethyl-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 126612072
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
3-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-7-(6-heptyl-6,12,12-trioctylindeno[1,2-b]fluoren-2-yl)-10-(2,4,6-triphenylphenyl)phenoxazine
CID 126614191
3-(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-nonaen-11-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(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-nonaen-11-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3-(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-nonaen-11-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157154846
11-phenyl-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 140893612
N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 155428212
CID 126612073
CID 126612073
3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine
CID 126614437
14-(2,6-diphenylphenyl)-11-(3,5-diphenylphenyl)-8-oxa-14-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 169038366

Frequently Asked Questions

What is the IUPAC name of 10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine?
The IUPAC name of 10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine (CID 140898462) is 10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine.
What is the SMILES notation for 10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine?
The canonical SMILES for 10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine is c1ccc(-c2ccc(-c3ccc4c(c3)Oc3cc(-c5ccc(-c6ccccc6)cc5)ccc3N4c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine?
The InChIKey is XJLLKOUIHAKCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-5-14-38(15-6-1)40-24-28-42(29-25-40)46-32-34-50-52(36-46)56-53-37-47(43-30-26-41(27-31-43)39-16-7-2-8-17-39)33-35-51(53)55(50)54-48(44-18-9-3-10-19-44)22-13-23-49(54)45-20-11-4-12-21-45/h1-37H.
What are the key properties of 10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine?
10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine has a molecular weight of 715.90 g/mol, XLogP of 15.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine is sourced from PubChem (CID 140898462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).