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

C78H61Br3N2 — CID 158338012

IUPAC1-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
SMILESBrc1ccc(-c2ccc(Br)cc2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(Br)cc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C39H30BrN.C27H23N.C12H8Br2/c1-39(2)37-11-7-6-10-35(37)36-25-24-34(26-38(36)39)41(32-20-14-29(15-21-32)27-8-4-3-5-9-27)33-22-16-30(17-23-33)28-12-18-31(40)19-13-28;1-27(2)25-11-7-6-10-23(25)24-17-16-22(18-26(24)27)28-21-14-12-20(13-15-21)19-8-4-3-5-9-19;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h3-26H,1-2H3;3-18,28H,1-2H3;1-8H
InChIKeyGQUYPBMCSRDUEU-UHFFFAOYSA-N
MW1266.07 g/mol
LogP23.84
Rot. Bonds9

About 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

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 (PubChem CID 158338012) has the molecular formula C78H61Br3N2 and a molecular weight of 1266.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158338012
Molecular FormulaC78H61Br3N2
Molecular Weight1266.07 g/mol
Exact Mass1262.24
IUPAC Name1-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
SMILESBrc1ccc(-c2ccc(Br)cc2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(Br)cc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C39H30BrN.C27H23N.C12H8Br2/c1-39(2)37-11-7-6-10-35(37)36-25-24-34(26-38(36)39)41(32-20-14-29(15-21-32)27-8-4-3-5-9-27)33-22-16-30(17-23-33)28-12-18-31(40)19-13-28;1-27(2)25-11-7-6-10-23(25)24-17-16-22(18-26(24)27)28-21-14-12-20(13-15-21)19-8-4-3-5-9-19;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h3-26H,1-2H3;3-18,28H,1-2H3;1-8H
InChIKeyGQUYPBMCSRDUEU-UHFFFAOYSA-N
XLogP23.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001266.07
LogP ≤ 523.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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-[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
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
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-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
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
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
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-(4-bromophenyl)-N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142719883

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc(-c2ccc(Br)cc2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(Br)cc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is GQUYPBMCSRDUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30BrN.C27H23N.C12H8Br2/c1-39(2)37-11-7-6-10-35(37)36-25-24-34(26-38(36)39)41(32-20-14-29(15-21-32)27-8-4-3-5-9-27)33-22-16-30(17-23-33)28-12-18-31(40)19-13-28;1-27(2)25-11-7-6-10-23(25)24-17-16-22(18-26(24)27)28-21-14-12-20(13-15-21)19-8-4-3-5-9-19;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h3-26H,1-2H3;3-18,28H,1-2H3;1-8H.
What are the key properties of 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?
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 has a molecular weight of 1266.07 g/mol, XLogP of 23.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158338012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).