2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole

C49H32BrN — CID 144639698

IUPAC2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole
SMILESBrc1cccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6C6C=CC=CC65)c4c3)c2)c1
InChIInChI=1S/C49H32BrN/c50-35-14-10-13-33(28-35)31-11-9-12-32(27-31)34-23-25-42-41-18-4-8-22-47(41)51(48(42)29-34)36-24-26-40-39-17-3-7-21-45(39)49(46(40)30-36)43-19-5-1-15-37(43)38-16-2-6-20-44(38)49/h1-30,37,43H
InChIKeyNJTYINSQELPFIJ-UHFFFAOYSA-N
MW714.71 g/mol
LogP13.03
Rot. Bonds3

About 2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole

2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole (PubChem CID 144639698) has the molecular formula C49H32BrN and a molecular weight of 714.71 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole
PubChem CID144639698
Molecular FormulaC49H32BrN
Molecular Weight714.71 g/mol
Exact Mass713.17
IUPAC Name2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole
SMILESBrc1cccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6C6C=CC=CC65)c4c3)c2)c1
InChIInChI=1S/C49H32BrN/c50-35-14-10-13-33(28-35)31-11-9-12-32(27-31)34-23-25-42-41-18-4-8-22-47(41)51(48(42)29-34)36-24-26-40-39-17-3-7-21-45(39)49(46(40)30-36)43-19-5-1-15-37(43)38-16-2-6-20-44(38)49/h1-30,37,43H
InChIKeyNJTYINSQELPFIJ-UHFFFAOYSA-N
XLogP13.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.71
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 90215122
N-(7'-naphthalen-1-ylspiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yl)-9-phenylcarbazol-3-amine
CID 70878231
2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole
CID 90216158
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 90216005
2-[4-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole
CID 118265635
2,4-diphenyl-6-(7-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 166953099
2-[4-(3-bromophenyl)-2-phenylphenyl]-9-phenylcarbazole
CID 118265965
2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
CID 90216180
2-(3-bromophenyl)-9-(9,9-diphenylfluoren-1-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-4-yl)carbazole
CID 158627410
9-(9,9-diphenylfluoren-2-yl)-2-[3-(3-methylphenyl)phenyl]carbazole
CID 90215950
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
2-[3-(3-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole
CID 118289181

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole?
The IUPAC name of 2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole (CID 144639698) is 2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole.
What is the SMILES notation for 2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole?
The canonical SMILES for 2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole is Brc1cccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6C6C=CC=CC65)c4c3)c2)c1.
What is the InChIKey of 2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole?
The InChIKey is NJTYINSQELPFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32BrN/c50-35-14-10-13-33(28-35)31-11-9-12-32(27-31)34-23-25-42-41-18-4-8-22-47(41)51(48(42)29-34)36-24-26-40-39-17-3-7-21-45(39)49(46(40)30-36)43-19-5-1-15-37(43)38-16-2-6-20-44(38)49/h1-30,37,43H.
What are the key properties of 2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole?
2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole has a molecular weight of 714.71 g/mol, XLogP of 13.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromophenyl)phenyl]-9-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylcarbazole is sourced from PubChem (CID 144639698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).