9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine

C74H51BrN2O2 — CID 159911224

IUPAC9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
SMILESBrc1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1.Nc1cccc2oc3ccccc3c12.c1ccc(C2(c3cccc(Nc4cccc5oc6ccccc6c45)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H25NO.C25H17Br.C12H9NO/c1-2-12-25(13-3-1)37(31-19-7-4-16-28(31)29-17-5-8-20-32(29)37)26-14-10-15-27(24-26)38-33-21-11-23-35-36(33)30-18-6-9-22-34(30)39-35;26-20-12-8-11-19(17-20)25(18-9-2-1-3-10-18)23-15-6-4-13-21(23)22-14-5-7-16-24(22)25;13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-24,38H;1-17H;1-7H,13H2
InChIKeyNXEZTGAINZQDQS-UHFFFAOYSA-N
MW1080.14 g/mol
LogP19.67
Rot. Bonds6

About 9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine

9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine (PubChem CID 159911224) has the molecular formula C74H51BrN2O2 and a molecular weight of 1080.14 g/mol. Its IUPAC name is 9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
PubChem CID159911224
Molecular FormulaC74H51BrN2O2
Molecular Weight1080.14 g/mol
Exact Mass1078.31
IUPAC Name9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
SMILESBrc1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1.Nc1cccc2oc3ccccc3c12.c1ccc(C2(c3cccc(Nc4cccc5oc6ccccc6c45)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H25NO.C25H17Br.C12H9NO/c1-2-12-25(13-3-1)37(31-19-7-4-16-28(31)29-17-5-8-20-32(29)37)26-14-10-15-27(24-26)38-33-21-11-23-35-36(33)30-18-6-9-22-34(30)39-35;26-20-12-8-11-19(17-20)25(18-9-2-1-3-10-18)23-15-6-4-13-21(23)22-14-5-7-16-24(22)25;13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-24,38H;1-17H;1-7H,13H2
InChIKeyNXEZTGAINZQDQS-UHFFFAOYSA-N
XLogP19.67
TPSA64.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.14
LogP ≤ 519.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 176624729
N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine
CID 166924260
N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 175441653
9,9-di(dibenzofuran-2-yl)-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 142453747
N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163590855
7-(3-bromophenyl)-7-phenylbenzo[a]phenalene
CID 134352385
N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
CID 87087450
N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine
CID 169305108
N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170108986
N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine
CID 167309836
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of 9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine (CID 159911224) is 9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for 9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine is Brc1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1.Nc1cccc2oc3ccccc3c12.c1ccc(C2(c3cccc(Nc4cccc5oc6ccccc6c45)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is NXEZTGAINZQDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NO.C25H17Br.C12H9NO/c1-2-12-25(13-3-1)37(31-19-7-4-16-28(31)29-17-5-8-20-32(29)37)26-14-10-15-27(24-26)38-33-21-11-23-35-36(33)30-18-6-9-22-34(30)39-35;26-20-12-8-11-19(17-20)25(18-9-2-1-3-10-18)23-15-6-4-13-21(23)22-14-5-7-16-24(22)25;13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-24,38H;1-17H;1-7H,13H2.
What are the key properties of 9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 1080.14 g/mol, XLogP of 19.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 159911224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).