2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine

C61H41N3O — CID 155483177

IUPAC2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5C65c6ccccc6N(c6ccccc6)c6ccccc65)cc4c3c2)cc1
InChIInChI=1S/C61H41N3O/c1-5-19-42(20-6-1)62(43-21-7-2-8-22-43)47-34-37-59-51(40-47)52-41-48(35-38-60(52)65-59)63(44-23-9-3-10-24-44)46-33-36-54-50(39-46)49-27-13-14-28-53(49)61(54)55-29-15-17-31-57(55)64(45-25-11-4-12-26-45)58-32-18-16-30-56(58)61/h1-41H
InChIKeyQSVUCUBBUKJDDE-UHFFFAOYSA-N
MW832.02 g/mol
LogP16.67
Rot. Bonds7

About 2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine

2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine (PubChem CID 155483177) has the molecular formula C61H41N3O and a molecular weight of 832.02 g/mol. Its IUPAC name is 2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine
PubChem CID155483177
Molecular FormulaC61H41N3O
Molecular Weight832.02 g/mol
Exact Mass831.32
IUPAC Name2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5C65c6ccccc6N(c6ccccc6)c6ccccc65)cc4c3c2)cc1
InChIInChI=1S/C61H41N3O/c1-5-19-42(20-6-1)62(43-21-7-2-8-22-43)47-34-37-59-51(40-47)52-41-48(35-38-60(52)65-59)63(44-23-9-3-10-24-44)46-33-36-54-50(39-46)49-27-13-14-28-53(49)61(54)55-29-15-17-31-57(55)64(45-25-11-4-12-26-45)58-32-18-16-30-56(58)61/h1-41H
InChIKeyQSVUCUBBUKJDDE-UHFFFAOYSA-N
XLogP16.67
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.02
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine
CID 155483433
N,14-diphenyl-N-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130463048
4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667387
N-dibenzofuran-2-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240558
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
N,14-diphenyl-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-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine;14-phenyl-N-(4-phenylphenyl)-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-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 159691989
N-(4-dibenzofuran-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzofuran-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]dibenzofuran-2-amine
CID 159499661
9-methyl-3-N,6-N,6-N-triphenyl-3-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-3,6-diamine
CID 155483232
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240
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
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463127
N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309219

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine?
The IUPAC name of 2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine (CID 155483177) is 2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine?
The canonical SMILES for 2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine is c1ccc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5C65c6ccccc6N(c6ccccc6)c6ccccc65)cc4c3c2)cc1.
What is the InChIKey of 2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine?
The InChIKey is QSVUCUBBUKJDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3O/c1-5-19-42(20-6-1)62(43-21-7-2-8-22-43)47-34-37-59-51(40-47)52-41-48(35-38-60(52)65-59)63(44-23-9-3-10-24-44)46-33-36-54-50(39-46)49-27-13-14-28-53(49)61(54)55-29-15-17-31-57(55)64(45-25-11-4-12-26-45)58-32-18-16-30-56(58)61/h1-41H.
What are the key properties of 2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine?
2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine has a molecular weight of 832.02 g/mol, XLogP of 16.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine is sourced from PubChem (CID 155483177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).