2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline

C177H134Br2N6 — CID 158688260

IUPAC2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline
SMILESBrc1ccc2c3ccccc3n(-c3ccccc3)c2c1.CC1(C)c2ccccc2-c2ccc(Br)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(C(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.Nc1cccc(-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1.c1ccc(-n2c3ccccc3c3ccc(Nc4cccc(-c5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4)cc32)cc1
InChIInChI=1S/C64H48N2.C49H36N2.C31H25N.C18H12BrN.C15H13Br/c1-63(2)59-32-17-15-30-55(59)56-40-38-53(43-60(56)63)65(54-39-41-58-57-31-16-18-33-61(57)66(62(58)44-54)51-27-13-6-14-28-51)52-29-19-20-46(42-52)45-34-36-50(37-35-45)64(47-21-7-3-8-22-47,48-23-9-4-10-24-48)49-25-11-5-12-26-49;1-5-17-38(18-6-1)49(39-19-7-2-8-20-39,40-21-9-3-10-22-40)41-30-28-36(29-31-41)37-16-15-23-42(34-37)50-43-32-33-46-45-26-13-14-27-47(45)51(48(46)35-43)44-24-11-4-12-25-44;32-30-18-10-11-25(23-30)24-19-21-29(22-20-24)31(26-12-4-1-5-13-26,27-14-6-2-7-15-27)28-16-8-3-9-17-28;19-13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h3-44H,1-2H3;1-35,50H;1-23H,32H2;1-12H;3-9H,1-2H3
InChIKeyIGABTFRCFBYKSZ-UHFFFAOYSA-N
MW2504.87 g/mol
LogP46.81
Rot. Bonds23

About 2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline

2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline (PubChem CID 158688260) has the molecular formula C177H134Br2N6 and a molecular weight of 2504.87 g/mol. Its IUPAC name is 2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline.

Molecular Properties

Compound Name2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline
PubChem CID158688260
Molecular FormulaC177H134Br2N6
Molecular Weight2504.87 g/mol
Exact Mass2500.90
IUPAC Name2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline
SMILESBrc1ccc2c3ccccc3n(-c3ccccc3)c2c1.CC1(C)c2ccccc2-c2ccc(Br)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(C(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.Nc1cccc(-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1.c1ccc(-n2c3ccccc3c3ccc(Nc4cccc(-c5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4)cc32)cc1
InChIInChI=1S/C64H48N2.C49H36N2.C31H25N.C18H12BrN.C15H13Br/c1-63(2)59-32-17-15-30-55(59)56-40-38-53(43-60(56)63)65(54-39-41-58-57-31-16-18-33-61(57)66(62(58)44-54)51-27-13-6-14-28-51)52-29-19-20-46(42-52)45-34-36-50(37-35-45)64(47-21-7-3-8-22-47,48-23-9-4-10-24-48)49-25-11-5-12-26-49;1-5-17-38(18-6-1)49(39-19-7-2-8-20-39,40-21-9-3-10-22-40)41-30-28-36(29-31-41)37-16-15-23-42(34-37)50-43-32-33-46-45-26-13-14-27-47(45)51(48(46)35-43)44-24-11-4-12-25-44;32-30-18-10-11-25(23-30)24-19-21-29(22-20-24)31(26-12-4-1-5-13-26,27-14-6-2-7-15-27)28-16-8-3-9-17-28;19-13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h3-44H,1-2H3;1-35,50H;1-23H,32H2;1-12H;3-9H,1-2H3
InChIKeyIGABTFRCFBYKSZ-UHFFFAOYSA-N
XLogP46.81
TPSA56.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms185
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002504.87
LogP ≤ 546.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 139568029
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)fluoren-2-amine;3-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)naphthalen-2-amine
CID 161349571
1-bromo-2-phenylbenzene;3-(3-bromophenyl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-N-(4-tritylphenyl)aniline;2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-tritylphenyl)aniline;4-tritylaniline
CID 157140152
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;2-N-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-2-N,6-N-diphenyl-6-N-(9-phenylcarbazol-2-yl)naphthalene-2,6-diamine;N,N-diphenyl-4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-(N-phenylanilino)phenyl]naphthalen-2-amine
CID 159581184
N-[3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90185797
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine
CID 162059824
2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 158074097
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline?
The IUPAC name of 2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline (CID 158688260) is 2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline.
What is the SMILES notation for 2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline?
The canonical SMILES for 2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline is Brc1ccc2c3ccccc3n(-c3ccccc3)c2c1.CC1(C)c2ccccc2-c2ccc(Br)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(C(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.Nc1cccc(-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1.c1ccc(-n2c3ccccc3c3ccc(Nc4cccc(-c5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c4)cc32)cc1.
What is the InChIKey of 2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline?
The InChIKey is IGABTFRCFBYKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2.C49H36N2.C31H25N.C18H12BrN.C15H13Br/c1-63(2)59-32-17-15-30-55(59)56-40-38-53(43-60(56)63)65(54-39-41-58-57-31-16-18-33-61(57)66(62(58)44-54)51-27-13-6-14-28-51)52-29-19-20-46(42-52)45-34-36-50(37-35-45)64(47-21-7-3-8-22-47,48-23-9-4-10-24-48)49-25-11-5-12-26-49;1-5-17-38(18-6-1)49(39-19-7-2-8-20-39,40-21-9-3-10-22-40)41-30-28-36(29-31-41)37-16-15-23-42(34-37)50-43-32-33-46-45-26-13-14-27-47(45)51(48(46)35-43)44-24-11-4-12-25-44;32-30-18-10-11-25(23-30)24-19-21-29(22-20-24)31(26-12-4-1-5-13-26,27-14-6-2-7-15-27)28-16-8-3-9-17-28;19-13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h3-44H,1-2H3;1-35,50H;1-23H,32H2;1-12H;3-9H,1-2H3.
What are the key properties of 2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline?
2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline has a molecular weight of 2504.87 g/mol, XLogP of 46.81, 23 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-dimethylfluorene;2-bromo-9-phenylcarbazole;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;9-phenyl-N-[3-(4-tritylphenyl)phenyl]carbazol-2-amine;3-(4-tritylphenyl)aniline is sourced from PubChem (CID 158688260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).