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

C98H73NO — CID 126612166

IUPAC10-[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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(-c2ccc4c(c2)N(c2c(-c5ccc(-c6ccccc6)cc5)cccc2-c2ccc(-c5ccccc5)cc2)c2cc(-c5cc6c(c7ccccc57)-c5cc7c(cc5C6(C)C)-c5ccccc5C7(C)C)ccc2O4)c2ccccc12)C3(C)C
InChIInChI=1S/C98H73NO/c1-95(2)80-36-21-19-30-70(80)76-54-84-78(56-82(76)95)92-72-32-17-15-28-68(72)74(52-86(92)97(84,5)6)64-46-48-90-88(50-64)99(94-66(62-42-38-60(39-43-62)58-24-11-9-12-25-58)34-23-35-67(94)63-44-40-61(41-45-63)59-26-13-10-14-27-59)89-51-65(47-49-91(89)100-90)75-53-87-93(73-33-18-16-29-69(73)75)79-57-83-77(55-85(79)98(87,7)8)71-31-20-22-37-81(71)96(83,3)4/h9-57H,1-8H3
InChIKeyYSBAQWBREWQCPN-UHFFFAOYSA-N
MW1280.67 g/mol
LogP26.80
Rot. Bonds7

About 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

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 (PubChem CID 126612166) has the molecular formula C98H73NO and a molecular weight of 1280.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID126612166
Molecular FormulaC98H73NO
Molecular Weight1280.67 g/mol
Exact Mass1279.57
IUPAC Name10-[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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(-c2ccc4c(c2)N(c2c(-c5ccc(-c6ccccc6)cc5)cccc2-c2ccc(-c5ccccc5)cc2)c2cc(-c5cc6c(c7ccccc57)-c5cc7c(cc5C6(C)C)-c5ccccc5C7(C)C)ccc2O4)c2ccccc12)C3(C)C
InChIInChI=1S/C98H73NO/c1-95(2)80-36-21-19-30-70(80)76-54-84-78(56-82(76)95)92-72-32-17-15-28-68(72)74(52-86(92)97(84,5)6)64-46-48-90-88(50-64)99(94-66(62-42-38-60(39-43-62)58-24-11-9-12-25-58)34-23-35-67(94)63-44-40-61(41-45-63)59-26-13-10-14-27-59)89-51-65(47-49-91(89)100-90)75-53-87-93(73-33-18-16-29-69(73)75)79-57-83-77(55-85(79)98(87,7)8)71-31-20-22-37-81(71)96(83,3)4/h9-57H,1-8H3
InChIKeyYSBAQWBREWQCPN-UHFFFAOYSA-N
XLogP26.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001280.67
LogP ≤ 526.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
2,8-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-10-(2,6-diphenylphenyl)phenoxazine
CID 126612060
CID 126612073
CID 126612073
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
9-(9,9-dimethylfluoren-2-yl)-15-[4-[15-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-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]phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479671
9,19-bis(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12,16,16-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 153447199
3,7-bis(7,7-dimethyl-5-phenylbenzo[g]fluoren-9-yl)-10-phenylphenoxazine
CID 126614259
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-10-methylphenoxazine
CID 59194851
4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-phenylphenyl]-12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 171045325
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
2,2,12,12,20,20-hexamethyl-16-(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)-16-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 129305162
12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 171045417

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c(cc21)-c1c(cc(-c2ccc4c(c2)N(c2c(-c5ccc(-c6ccccc6)cc5)cccc2-c2ccc(-c5ccccc5)cc2)c2cc(-c5cc6c(c7ccccc57)-c5cc7c(cc5C6(C)C)-c5ccccc5C7(C)C)ccc2O4)c2ccccc12)C3(C)C.
What is the InChIKey of 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?
The InChIKey is YSBAQWBREWQCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H73NO/c1-95(2)80-36-21-19-30-70(80)76-54-84-78(56-82(76)95)92-72-32-17-15-28-68(72)74(52-86(92)97(84,5)6)64-46-48-90-88(50-64)99(94-66(62-42-38-60(39-43-62)58-24-11-9-12-25-58)34-23-35-67(94)63-44-40-61(41-45-63)59-26-13-10-14-27-59)89-51-65(47-49-91(89)100-90)75-53-87-93(73-33-18-16-29-69(73)75)79-57-83-77(55-85(79)98(87,7)8)71-31-20-22-37-81(71)96(83,3)4/h9-57H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1280.67 g/mol, XLogP of 26.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126612166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).