N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine

C43H28BrNO — CID 155239548

IUPACN-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C43H28BrNO/c44-31-25-21-29(22-26-31)30-23-27-33(28-24-30)45(32-11-2-1-3-12-32)40-19-10-18-39-42(40)46-41-20-9-8-17-38(41)43(39)36-15-6-4-13-34(36)35-14-5-7-16-37(35)43/h1-28H
InChIKeyQJCHBBPXICQCLT-UHFFFAOYSA-N
MW654.61 g/mol
LogP12.05
Rot. Bonds4

About N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine

N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine (PubChem CID 155239548) has the molecular formula C43H28BrNO and a molecular weight of 654.61 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine
PubChem CID155239548
Molecular FormulaC43H28BrNO
Molecular Weight654.61 g/mol
Exact Mass653.14
IUPAC NameN-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C43H28BrNO/c44-31-25-21-29(22-26-31)30-23-27-33(28-24-30)45(32-11-2-1-3-12-32)40-19-10-18-39-42(40)46-41-20-9-8-17-38(41)43(39)36-15-6-4-13-34(36)35-14-5-7-16-37(35)43/h1-28H
InChIKeyQJCHBBPXICQCLT-UHFFFAOYSA-N
XLogP12.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.61
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-amine
CID 167176973
N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine
CID 167277352
N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 167178064
4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine
CID 167178088
2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 174293899
4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine
CID 158594028
N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476977
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862
N-phenyl-N-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-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 130265426
2-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 90154256
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 158045243

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine?
The IUPAC name of N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine (CID 155239548) is N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine.
What is the SMILES notation for N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine?
The canonical SMILES for N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine is Brc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine?
The InChIKey is QJCHBBPXICQCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28BrNO/c44-31-25-21-29(22-26-31)30-23-27-33(28-24-30)45(32-11-2-1-3-12-32)40-19-10-18-39-42(40)46-41-20-9-8-17-38(41)43(39)36-15-6-4-13-34(36)35-14-5-7-16-37(35)43/h1-28H.
What are the key properties of N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine?
N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine has a molecular weight of 654.61 g/mol, XLogP of 12.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4'-amine is sourced from PubChem (CID 155239548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).