N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C128H99BrN6 — CID 161150395

IUPACN-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESBrc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C64H49N3.C34H23BrN2.C30H27N/c1-63(2)56-21-13-11-19-52(56)54-37-35-50(39-58(54)63)67(51-36-38-55-53-20-12-14-22-57(53)64(3,4)59(55)40-51)49-33-31-47(32-34-49)61-41-60(46-27-23-44(24-28-46)42-15-7-5-8-16-42)65-62(66-61)48-29-25-45(26-30-48)43-17-9-6-10-18-43;35-31-21-19-29(20-22-31)33-23-32(28-15-11-26(12-16-28)24-7-3-1-4-8-24)36-34(37-33)30-17-13-27(14-18-30)25-9-5-2-6-10-25;1-29(2)25-11-7-5-9-21(25)23-15-13-19(17-27(23)29)31-20-14-16-24-22-10-6-8-12-26(22)30(3,4)28(24)18-20/h5-41H,1-4H3;1-23H;5-18,31H,1-4H3
InChIKeyUOPJACNWLJBRCL-UHFFFAOYSA-N
MW1801.15 g/mol
LogP34.51
Rot. Bonds15

About N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 161150395) has the molecular formula C128H99BrN6 and a molecular weight of 1801.15 g/mol. Its IUPAC name is N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID161150395
Molecular FormulaC128H99BrN6
Molecular Weight1801.15 g/mol
Exact Mass1798.71
IUPAC NameN-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESBrc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C64H49N3.C34H23BrN2.C30H27N/c1-63(2)56-21-13-11-19-52(56)54-37-35-50(39-58(54)63)67(51-36-38-55-53-20-12-14-22-57(53)64(3,4)59(55)40-51)49-33-31-47(32-34-49)61-41-60(46-27-23-44(24-28-46)42-15-7-5-8-16-42)65-62(66-61)48-29-25-45(26-30-48)43-17-9-6-10-18-43;35-31-21-19-29(20-22-31)33-23-32(28-15-11-26(12-16-28)24-7-3-1-4-8-24)36-34(37-33)30-17-13-27(14-18-30)25-9-5-2-6-10-25;1-29(2)25-11-7-5-9-21(25)23-15-13-19(17-27(23)29)31-20-14-16-24-22-10-6-8-12-26(22)30(3,4)28(24)18-20/h5-41H,1-4H3;1-23H;5-18,31H,1-4H3
InChIKeyUOPJACNWLJBRCL-UHFFFAOYSA-N
XLogP34.51
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001801.15
LogP ≤ 534.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158338012
7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N-phenylaniline;N-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160636575
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
2-(4-bromophenyl)-9,9-dimethylfluorene;carbanide;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline;4-phenyl-N-(4-triphenylsilylphenyl)aniline
CID 157271018
9-(4-bromophenyl)-10-phenylanthracene;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(10-phenylanthracen-9-yl)phenyl]fluoren-2-amine
CID 159169386
N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline
CID 153294011
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9-bromo-11,11-dimethylfluoreno[3,2-b][1]benzofuran;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 157463522
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine
CID 171727116

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 161150395) is N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is Brc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is UOPJACNWLJBRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49N3.C34H23BrN2.C30H27N/c1-63(2)56-21-13-11-19-52(56)54-37-35-50(39-58(54)63)67(51-36-38-55-53-20-12-14-22-57(53)64(3,4)59(55)40-51)49-33-31-47(32-34-49)61-41-60(46-27-23-44(24-28-46)42-15-7-5-8-16-42)65-62(66-61)48-29-25-45(26-30-48)43-17-9-6-10-18-43;35-31-21-19-29(20-22-31)33-23-32(28-15-11-26(12-16-28)24-7-3-1-4-8-24)36-34(37-33)30-17-13-27(14-18-30)25-9-5-2-6-10-25;1-29(2)25-11-7-5-9-21(25)23-15-13-19(17-27(23)29)31-20-14-16-24-22-10-6-8-12-26(22)30(3,4)28(24)18-20/h5-41H,1-4H3;1-23H;5-18,31H,1-4H3.
What are the key properties of N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 1801.15 g/mol, XLogP of 34.51, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;4-(4-bromophenyl)-2,6-bis(4-phenylphenyl)pyrimidine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 161150395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).