3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine

C68H49NO — CID 126614259

IUPAC3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine
SMILESCC1(C)c2cc(-c3ccc4c(c3)Oc3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccccc7)c7ccccc7c5-6)ccc3N4c3ccccc3)ccc2-c2c1cc(-c1ccccc1)c1ccccc21
InChIInChI=1S/C68H49NO/c1-67(2)57-36-44(28-32-53(57)65-51-26-16-14-24-49(51)55(40-59(65)67)42-18-8-5-9-19-42)46-30-34-61-63(38-46)70-64-39-47(31-35-62(64)69(61)48-22-12-7-13-23-48)45-29-33-54-58(37-45)68(3,4)60-41-56(43-20-10-6-11-21-43)50-25-15-17-27-52(50)66(54)60/h5-41H,1-4H3
InChIKeyTUDKEADHOCFVHU-UHFFFAOYSA-N
MW896.15 g/mol
LogP18.85
Rot. Bonds5

About 3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine

3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine (PubChem CID 126614259) has the molecular formula C68H49NO and a molecular weight of 896.15 g/mol. Its IUPAC name is 3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine.

Molecular Properties

Compound Name3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine
PubChem CID126614259
Molecular FormulaC68H49NO
Molecular Weight896.15 g/mol
Exact Mass895.38
IUPAC Name3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine
SMILESCC1(C)c2cc(-c3ccc4c(c3)Oc3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccccc7)c7ccccc7c5-6)ccc3N4c3ccccc3)ccc2-c2c1cc(-c1ccccc1)c1ccccc21
InChIInChI=1S/C68H49NO/c1-67(2)57-36-44(28-32-53(57)65-51-26-16-14-24-49(51)55(40-59(65)67)42-18-8-5-9-19-42)46-30-34-61-63(38-46)70-64-39-47(31-35-62(64)69(61)48-22-12-7-13-23-48)45-29-33-54-58(37-45)68(3,4)60-41-56(43-20-10-6-11-21-43)50-25-15-17-27-52(50)66(54)60/h5-41H,1-4H3
InChIKeyTUDKEADHOCFVHU-UHFFFAOYSA-N
XLogP18.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.15
LogP ≤ 518.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,4,6-triphenylphenyl)phenoxazine
CID 126614437
9-[7-(12,12-dimethyl-15-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479637
2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 89024085
8,8-dimethyl-5,6,10,13-tetraphenylindeno[1,2-a]phenazine
CID 118668270
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151610
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine
CID 134579019
2,5-bis(12,12,22,22-tetramethyl-9-phenyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)thiophene
CID 134271458
2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine
CID 126612060
10-[2,6-bis(4-phenylphenyl)phenyl]-2,8-bis(12,12,22,22-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaenyl)phenoxazine
CID 126612166
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
N-[4-(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 135299619
7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 121321506

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine?
The IUPAC name of 3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine (CID 126614259) is 3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine.
What is the SMILES notation for 3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine?
The canonical SMILES for 3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine is CC1(C)c2cc(-c3ccc4c(c3)Oc3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccccc7)c7ccccc7c5-6)ccc3N4c3ccccc3)ccc2-c2c1cc(-c1ccccc1)c1ccccc21.
What is the InChIKey of 3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine?
The InChIKey is TUDKEADHOCFVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H49NO/c1-67(2)57-36-44(28-32-53(57)65-51-26-16-14-24-49(51)55(40-59(65)67)42-18-8-5-9-19-42)46-30-34-61-63(38-46)70-64-39-47(31-35-62(64)69(61)48-22-12-7-13-23-48)45-29-33-54-58(37-45)68(3,4)60-41-56(43-20-10-6-11-21-43)50-25-15-17-27-52(50)66(54)60/h5-41H,1-4H3.
What are the key properties of 3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine?
3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine has a molecular weight of 896.15 g/mol, XLogP of 18.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine is sourced from PubChem (CID 126614259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).