1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine

C67H46BrN3O — CID 163365338

IUPAC1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine
SMILESBrc1ccc2c(c1)N(c1ccccc1)c1cc(N(c3ccccc3)c3cc(Oc4ccccc4)cc(N(c4ccccc4)c4ccccc4-c4ccccc4)c3)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C67H46BrN3O/c68-48-38-40-62-65(42-48)71(51-28-12-4-13-29-51)66-46-52(39-41-63(66)67(62)60-35-19-16-33-58(60)59-34-17-20-36-61(59)67)69(49-24-8-2-9-25-49)53-43-54(45-56(44-53)72-55-30-14-5-15-31-55)70(50-26-10-3-11-27-50)64-37-21-18-32-57(64)47-22-6-1-7-23-47/h1-46H
InChIKeyICOXYQWAPXMYCB-UHFFFAOYSA-N
MW989.03 g/mol
LogP18.99
Rot. Bonds10

About 1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine

1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine (PubChem CID 163365338) has the molecular formula C67H46BrN3O and a molecular weight of 989.03 g/mol. Its IUPAC name is 1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine
PubChem CID163365338
Molecular FormulaC67H46BrN3O
Molecular Weight989.03 g/mol
Exact Mass987.28
IUPAC Name1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine
SMILESBrc1ccc2c(c1)N(c1ccccc1)c1cc(N(c3ccccc3)c3cc(Oc4ccccc4)cc(N(c4ccccc4)c4ccccc4-c4ccccc4)c3)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C67H46BrN3O/c68-48-38-40-62-65(42-48)71(51-28-12-4-13-29-51)66-46-52(39-41-63(66)67(62)60-35-19-16-33-58(60)59-34-17-20-36-61(59)67)69(49-24-8-2-9-25-49)53-43-54(45-56(44-53)72-55-30-14-5-15-31-55)70(50-26-10-3-11-27-50)64-37-21-18-32-57(64)47-22-6-1-7-23-47/h1-46H
InChIKeyICOXYQWAPXMYCB-UHFFFAOYSA-N
XLogP18.99
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.03
LogP ≤ 518.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

10-phenyl-N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166635
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(2-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 158938491
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)aniline
CID 161259967
10-phenyl-N,N-bis[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166634
6-N,6-N-dinaphthalen-2-yl-4-N-phenyl-4-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-4,6-diamine
CID 155483246
2'-bromo-N-phenyl-N-(3-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 176633878
N-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-10-phenyl-N-(2-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240757
N-naphthalen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166670
3-N,11-N'-diphenyl-3-N,11-N'-bis(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-3,11'-diamine
CID 130264087
5-(3-bromophenoxy)-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 164937868
10-phenyl-N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240469
1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine
CID 155483433

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine (CID 163365338) is 1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine is Brc1ccc2c(c1)N(c1ccccc1)c1cc(N(c3ccccc3)c3cc(Oc4ccccc4)cc(N(c4ccccc4)c4ccccc4-c4ccccc4)c3)ccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine?
The InChIKey is ICOXYQWAPXMYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46BrN3O/c68-48-38-40-62-65(42-48)71(51-28-12-4-13-29-51)66-46-52(39-41-63(66)67(62)60-35-19-16-33-58(60)59-34-17-20-36-61(59)67)69(49-24-8-2-9-25-49)53-43-54(45-56(44-53)72-55-30-14-5-15-31-55)70(50-26-10-3-11-27-50)64-37-21-18-32-57(64)47-22-6-1-7-23-47/h1-46H.
What are the key properties of 1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine?
1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine has a molecular weight of 989.03 g/mol, XLogP of 18.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-bromo-10-phenylspiro[acridine-9,9'-fluorene]-3-yl)-5-phenoxy-1-N,3-N-diphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 163365338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).