N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline

C43H28BrN — CID 58202632

IUPACN-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
SMILESBrc1ccc(Nc2ccc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C43H28BrN/c44-30-20-24-32(25-21-30)45-31-22-17-28(18-23-31)33-9-1-2-10-34(33)29-19-26-38-37-13-5-8-16-41(37)43(42(38)27-29)39-14-6-3-11-35(39)36-12-4-7-15-40(36)43/h1-27,45H
InChIKeyFSOULBYAJHJCGL-UHFFFAOYSA-N
MW638.61 g/mol
LogP11.87
Rot. Bonds4

About N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline

N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline (PubChem CID 58202632) has the molecular formula C43H28BrN and a molecular weight of 638.61 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
PubChem CID58202632
Molecular FormulaC43H28BrN
Molecular Weight638.61 g/mol
Exact Mass637.14
IUPAC NameN-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
SMILESBrc1ccc(Nc2ccc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C43H28BrN/c44-30-20-24-32(25-21-30)45-31-22-17-28(18-23-31)33-9-1-2-10-34(33)29-19-26-38-37-13-5-8-16-41(37)43(42(38)27-29)39-14-6-3-11-35(39)36-12-4-7-15-40(36)43/h1-27,45H
InChIKeyFSOULBYAJHJCGL-UHFFFAOYSA-N
XLogP11.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.61
LogP ≤ 511.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
N-(4-bromophenyl)-4-[2-(9,9-dihexylfluoren-2-yl)phenyl]aniline
CID 58202612
2-bromo-9,9'-spirobi[fluorene];1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 162199805
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]
CID 129087141
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene]
CID 121482268
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2-(5-bromonaphthalen-1-yl)-9,9'-spirobi[fluorene]
CID 142725067
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
The IUPAC name of N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline (CID 58202632) is N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline.
What is the SMILES notation for N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
The canonical SMILES for N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline is Brc1ccc(Nc2ccc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
The InChIKey is FSOULBYAJHJCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28BrN/c44-30-20-24-32(25-21-30)45-31-22-17-28(18-23-31)33-9-1-2-10-34(33)29-19-26-38-37-13-5-8-16-41(37)43(42(38)27-29)39-14-6-3-11-35(39)36-12-4-7-15-40(36)43/h1-27,45H.
What are the key properties of N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline?
N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline has a molecular weight of 638.61 g/mol, XLogP of 11.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline is sourced from PubChem (CID 58202632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).