N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

C43H28BrN — CID 126702741

IUPACN-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESBrc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H28BrN/c44-31-20-24-33(25-21-31)45(32-22-18-30(19-23-32)29-10-2-1-3-11-29)34-26-27-42-38(28-34)37-14-6-9-17-41(37)43(42)39-15-7-4-12-35(39)36-13-5-8-16-40(36)43/h1-28H
InChIKeyWDJFSRUAYHOZLL-UHFFFAOYSA-N
MW638.61 g/mol
LogP11.93
Rot. Bonds4

About N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (PubChem CID 126702741) has the molecular formula C43H28BrN and a molecular weight of 638.61 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
PubChem CID126702741
Molecular FormulaC43H28BrN
Molecular Weight638.61 g/mol
Exact Mass637.14
IUPAC NameN-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESBrc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H28BrN/c44-31-20-24-33(25-21-31)45(32-22-18-30(19-23-32)29-10-2-1-3-11-29)34-26-27-42-38(28-34)37-14-6-9-17-41(37)43(42)39-15-7-4-12-35(39)36-13-5-8-16-40(36)43/h1-28H
InChIKeyWDJFSRUAYHOZLL-UHFFFAOYSA-N
XLogP11.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.61
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663853
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
CID 23590222
CID 23590222
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480942
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 137469859
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 146539095
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (CID 126702741) is N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is Brc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is WDJFSRUAYHOZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28BrN/c44-31-20-24-33(25-21-31)45(32-22-18-30(19-23-32)29-10-2-1-3-11-29)34-26-27-42-38(28-34)37-14-6-9-17-41(37)43(42)39-15-7-4-12-35(39)36-13-5-8-16-40(36)43/h1-28H.
What are the key properties of N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 638.61 g/mol, XLogP of 11.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 126702741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).