N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine

C45H31Br2NO — CID 163691406

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(Br)ccc4Br)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C45H31Br2NO/c1-45(2)40-12-5-3-8-35(40)36-24-23-33(27-41(36)45)48(32-21-16-29(17-22-32)39-26-30(46)18-25-42(39)47)31-19-14-28(15-20-31)34-10-7-11-38-37-9-4-6-13-43(37)49-44(34)38/h3-27H,1-2H3
InChIKeyLGXFIUUXGGYLRQ-UHFFFAOYSA-N
MW761.56 g/mol
LogP14.22
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 163691406) has the molecular formula C45H31Br2NO and a molecular weight of 761.56 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID163691406
Molecular FormulaC45H31Br2NO
Molecular Weight761.56 g/mol
Exact Mass759.08
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(Br)ccc4Br)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C45H31Br2NO/c1-45(2)40-12-5-3-8-35(40)36-24-23-33(27-41(36)45)48(32-21-16-29(17-22-32)39-26-30(46)18-25-42(39)47)31-19-14-28(15-20-31)34-10-7-11-38-37-9-4-6-13-43(37)49-44(34)38/h3-27H,1-2H3
InChIKeyLGXFIUUXGGYLRQ-UHFFFAOYSA-N
XLogP14.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.56
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 142340691
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022283
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 123846353
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)fluoren-2-amine
CID 118369468
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine
CID 118405775
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 159965334

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine (CID 163691406) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(Br)ccc4Br)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is LGXFIUUXGGYLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31Br2NO/c1-45(2)40-12-5-3-8-35(40)36-24-23-33(27-41(36)45)48(32-21-16-29(17-22-32)39-26-30(46)18-25-42(39)47)31-19-14-28(15-20-31)34-10-7-11-38-37-9-4-6-13-43(37)49-44(34)38/h3-27H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 761.56 g/mol, XLogP of 14.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2,5-dibromophenyl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 163691406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).