3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene

C219H190N2O — CID 160646857

IUPAC3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.Cc1ccc(C2(c3ccc(N(c4ccc(-c5ccc6c(c5)C(c5ccc(C)cc5)(c5ccc(C)cc5)c5ccccc5-6)cc4)c4ccc(-c5ccc6c(c5)C(c5ccc(C)cc5)(c5ccc(C)cc5)c5ccccc5-6)cc4)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(C2(c3ccc(N4c5ccc(-c6ccc7c(c6)C(c6ccc(C)cc6)(c6ccc(C)cc6)c6ccccc6-7)cc5Oc5cc(-c6ccc7c(c6)C(c6ccc(C)cc6)(c6ccc(C)cc6)c6ccccc6-7)ccc54)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1
InChIInChI=1S/C94H71NO.C94H73N.C31H46/c1-58-16-32-69(33-17-58)92(70-34-18-59(2)19-35-70)82-14-10-8-12-76(82)80-48-28-65(54-86(80)92)67-30-50-88-90(56-67)96-91-57-68(66-29-49-81-77-13-9-11-15-83(77)93(87(81)55-66,71-36-20-60(3)21-37-71)72-38-22-61(4)23-39-72)31-51-89(91)95(88)75-44-42-74(43-45-75)94(73-40-24-62(5)25-41-73)84-52-63(6)26-46-78(84)79-47-27-64(7)53-85(79)94;1-60-16-34-71(35-17-60)92(72-36-18-61(2)19-37-72)86-14-10-8-12-80(86)84-54-32-69(58-90(84)92)67-28-46-77(47-29-67)95(79-50-44-76(45-51-79)94(75-42-24-64(5)25-43-75)88-56-65(6)26-52-82(88)83-53-27-66(7)57-89(83)94)78-48-30-68(31-49-78)70-33-55-85-81-13-9-11-15-87(81)93(91(85)59-70,73-38-20-62(3)21-39-73)74-40-22-63(4)23-41-74;1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)31/h8-57H,1-7H3;8-59H,1-7H3;17-20,23-24H,5-16,21-22H2,1-4H3
InChIKeyRJWUVNLRPOXCJJ-UHFFFAOYSA-N
MW2865.94 g/mol
LogP57.65
Rot. Bonds34

About 3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene

3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene (PubChem CID 160646857) has the molecular formula C219H190N2O and a molecular weight of 2865.94 g/mol. Its IUPAC name is 3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene.

Molecular Properties

Compound Name3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
PubChem CID160646857
Molecular FormulaC219H190N2O
Molecular Weight2865.94 g/mol
Exact Mass2863.49
IUPAC Name3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.Cc1ccc(C2(c3ccc(N(c4ccc(-c5ccc6c(c5)C(c5ccc(C)cc5)(c5ccc(C)cc5)c5ccccc5-6)cc4)c4ccc(-c5ccc6c(c5)C(c5ccc(C)cc5)(c5ccc(C)cc5)c5ccccc5-6)cc4)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(C2(c3ccc(N4c5ccc(-c6ccc7c(c6)C(c6ccc(C)cc6)(c6ccc(C)cc6)c6ccccc6-7)cc5Oc5cc(-c6ccc7c(c6)C(c6ccc(C)cc6)(c6ccc(C)cc6)c6ccccc6-7)ccc54)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1
InChIInChI=1S/C94H71NO.C94H73N.C31H46/c1-58-16-32-69(33-17-58)92(70-34-18-59(2)19-35-70)82-14-10-8-12-76(82)80-48-28-65(54-86(80)92)67-30-50-88-90(56-67)96-91-57-68(66-29-49-81-77-13-9-11-15-83(77)93(87(81)55-66,71-36-20-60(3)21-37-71)72-38-22-61(4)23-39-72)31-51-89(91)95(88)75-44-42-74(43-45-75)94(73-40-24-62(5)25-41-73)84-52-63(6)26-46-78(84)79-47-27-64(7)53-85(79)94;1-60-16-34-71(35-17-60)92(72-36-18-61(2)19-37-72)86-14-10-8-12-80(86)84-54-32-69(58-90(84)92)67-28-46-77(47-29-67)95(79-50-44-76(45-51-79)94(75-42-24-64(5)25-43-75)88-56-65(6)26-52-82(88)83-53-27-66(7)57-89(83)94)78-48-30-68(31-49-78)70-33-55-85-81-13-9-11-15-87(81)93(91(85)59-70,73-38-20-62(3)21-39-73)74-40-22-63(4)23-41-74;1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)31/h8-57H,1-7H3;8-59H,1-7H3;17-20,23-24H,5-16,21-22H2,1-4H3
InChIKeyRJWUVNLRPOXCJJ-UHFFFAOYSA-N
XLogP57.65
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds34
Heavy Atoms222
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002865.94
LogP ≤ 557.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene with MolForge

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Related Compounds

N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59404152
3-(4-tert-butylphenyl)-10-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-7-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenoxazine
CID 58556195
4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
CID 157085258
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol
CID 58274115
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2,8-dimethyl-12,12-dioctyl-6,6-bis(4-octylphenyl)indeno[1,2-b]fluorene;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 91342827
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
7-[3-(9,9-dibutyl-7-methylfluoren-2-yl)-6-methylcarbazol-9-yl]-N,N-bis(4-methylphenyl)-9,9-diphenylfluoren-2-amine
CID 121324360
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
16-(4-butylphenyl)-12,12,20,20-tetrakis(4-hexylphenyl)-2-oxa-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 58370968
3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 59404178

Frequently Asked Questions

What is the IUPAC name of 3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene?
The IUPAC name of 3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene (CID 160646857) is 3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene.
What is the SMILES notation for 3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene?
The canonical SMILES for 3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.Cc1ccc(C2(c3ccc(N(c4ccc(-c5ccc6c(c5)C(c5ccc(C)cc5)(c5ccc(C)cc5)c5ccccc5-6)cc4)c4ccc(-c5ccc6c(c5)C(c5ccc(C)cc5)(c5ccc(C)cc5)c5ccccc5-6)cc4)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(C2(c3ccc(N4c5ccc(-c6ccc7c(c6)C(c6ccc(C)cc6)(c6ccc(C)cc6)c6ccccc6-7)cc5Oc5cc(-c6ccc7c(c6)C(c6ccc(C)cc6)(c6ccc(C)cc6)c6ccccc6-7)ccc54)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.
What is the InChIKey of 3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene?
The InChIKey is RJWUVNLRPOXCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H71NO.C94H73N.C31H46/c1-58-16-32-69(33-17-58)92(70-34-18-59(2)19-35-70)82-14-10-8-12-76(82)80-48-28-65(54-86(80)92)67-30-50-88-90(56-67)96-91-57-68(66-29-49-81-77-13-9-11-15-83(77)93(87(81)55-66,71-36-20-60(3)21-37-71)72-38-22-61(4)23-39-72)31-51-89(91)95(88)75-44-42-74(43-45-75)94(73-40-24-62(5)25-41-73)84-52-63(6)26-46-78(84)79-47-27-64(7)53-85(79)94;1-60-16-34-71(35-17-60)92(72-36-18-61(2)19-37-72)86-14-10-8-12-80(86)84-54-32-69(58-90(84)92)67-28-46-77(47-29-67)95(79-50-44-76(45-51-79)94(75-42-24-64(5)25-43-75)88-56-65(6)26-52-82(88)83-53-27-66(7)57-89(83)94)78-48-30-68(31-49-78)70-33-55-85-81-13-9-11-15-87(81)93(91(85)59-70,73-38-20-62(3)21-39-73)74-40-22-63(4)23-41-74;1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)31/h8-57H,1-7H3;8-59H,1-7H3;17-20,23-24H,5-16,21-22H2,1-4H3.
What are the key properties of 3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene?
3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene has a molecular weight of 2865.94 g/mol, XLogP of 57.65, 34 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene is sourced from PubChem (CID 160646857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).