2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine

C41H26BrN — CID 168775411

IUPAC2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine
SMILESBrc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c1c(N(c1ccccc1)c1ccccc1)cc1ccccc21
InChIInChI=1S/C41H26BrN/c42-28-23-24-33-32-19-9-11-21-35(32)41(37(33)26-28)36-22-12-10-20-34(36)39-31-18-8-7-13-27(31)25-38(40(39)41)43(29-14-3-1-4-15-29)30-16-5-2-6-17-30/h1-26H
InChIKeyUPYRUMSYSYZOIO-UHFFFAOYSA-N
MW612.57 g/mol
LogP11.42
Rot. Bonds3

About 2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine

2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine (PubChem CID 168775411) has the molecular formula C41H26BrN and a molecular weight of 612.57 g/mol. Its IUPAC name is 2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine.

Molecular Properties

Compound Name2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine
PubChem CID168775411
Molecular FormulaC41H26BrN
Molecular Weight612.57 g/mol
Exact Mass611.12
IUPAC Name2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine
SMILESBrc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c1c(N(c1ccccc1)c1ccccc1)cc1ccccc21
InChIInChI=1S/C41H26BrN/c42-28-23-24-33-32-19-9-11-21-35(32)41(37(33)26-28)36-22-12-10-20-34(36)39-31-18-8-7-13-27(31)25-38(40(39)41)43(29-14-3-1-4-15-29)30-16-5-2-6-17-30/h1-26H
InChIKeyUPYRUMSYSYZOIO-UHFFFAOYSA-N
XLogP11.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.57
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168774947
4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775249
2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775393
3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775124
3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775472
6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775309
6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775466
2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775130
6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine
CID 168775197
3-N'-dibenzothiophen-3-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775392
2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 176633878
4-N'-dibenzofuran-2-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775351

Frequently Asked Questions

What is the IUPAC name of 2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine?
The IUPAC name of 2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine (CID 168775411) is 2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine.
What is the SMILES notation for 2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine?
The canonical SMILES for 2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine is Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c1c(N(c1ccccc1)c1ccccc1)cc1ccccc21.
What is the InChIKey of 2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine?
The InChIKey is UPYRUMSYSYZOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26BrN/c42-28-23-24-33-32-19-9-11-21-35(32)41(37(33)26-28)36-22-12-10-20-34(36)39-31-18-8-7-13-27(31)25-38(40(39)41)43(29-14-3-1-4-15-29)30-16-5-2-6-17-30/h1-26H.
What are the key properties of 2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine?
2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine has a molecular weight of 612.57 g/mol, XLogP of 11.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine is sourced from PubChem (CID 168775411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).