1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine

C61H41N3O — CID 155483433

IUPAC1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4cccc(N(c5ccccc5)c5ccc6c(c5)N(c5ccccc5)c5ccccc5C65c6ccccc6-c6ccccc65)c4c3c2)cc1
InChIInChI=1S/C61H41N3O/c1-5-20-42(21-6-1)62(43-22-7-2-8-23-43)46-37-39-58-50(40-46)60-56(34-19-35-59(60)65-58)63(44-24-9-3-10-25-44)47-36-38-54-57(41-47)64(45-26-11-4-12-27-45)55-33-18-17-32-53(55)61(54)51-30-15-13-28-48(51)49-29-14-16-31-52(49)61/h1-41H
InChIKeyPFPBFUKTJNKXKH-UHFFFAOYSA-N
MW832.02 g/mol
LogP16.67
Rot. Bonds7

About 1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine

1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine (PubChem CID 155483433) has the molecular formula C61H41N3O and a molecular weight of 832.02 g/mol. Its IUPAC name is 1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine.

Molecular Properties

Compound Name1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine
PubChem CID155483433
Molecular FormulaC61H41N3O
Molecular Weight832.02 g/mol
Exact Mass831.32
IUPAC Name1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4cccc(N(c5ccccc5)c5ccc6c(c5)N(c5ccccc5)c5ccccc5C65c6ccccc6-c6ccccc65)c4c3c2)cc1
InChIInChI=1S/C61H41N3O/c1-5-20-42(21-6-1)62(43-22-7-2-8-23-43)46-37-39-58-50(40-46)60-56(34-19-35-59(60)65-58)63(44-24-9-3-10-25-44)47-36-38-54-57(41-47)64(45-26-11-4-12-27-45)55-33-18-17-32-53(55)61(54)51-30-15-13-28-48(51)49-29-14-16-31-52(49)61/h1-41H
InChIKeyPFPBFUKTJNKXKH-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

2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine
CID 155483177
N-dibenzofuran-2-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240558
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
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
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
N,10-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168805
N,14-diphenyl-N-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-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),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 130463628
N-(1',2',4',5',6',7',8'-heptadeuterio-9,9'-spirobi[fluorene]-3'-yl)-10-phenyl-N-(6,7,8,9-tetradeuteriodibenzofuran-1-yl)spiro[acridine-9,9'-fluorene]-2-amine
CID 171588958
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-dibenzofuran-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 158083207
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
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-1-amine
CID 162771436
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

Frequently Asked Questions

What is the IUPAC name of 1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine?
The IUPAC name of 1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine (CID 155483433) is 1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine.
What is the SMILES notation for 1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine?
The canonical SMILES for 1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine is c1ccc(N(c2ccccc2)c2ccc3oc4cccc(N(c5ccccc5)c5ccc6c(c5)N(c5ccccc5)c5ccccc5C65c6ccccc6-c6ccccc65)c4c3c2)cc1.
What is the InChIKey of 1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine?
The InChIKey is PFPBFUKTJNKXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3O/c1-5-20-42(21-6-1)62(43-22-7-2-8-23-43)46-37-39-58-50(40-46)60-56(34-19-35-59(60)65-58)63(44-24-9-3-10-25-44)47-36-38-54-57(41-47)64(45-26-11-4-12-27-45)55-33-18-17-32-53(55)61(54)51-30-15-13-28-48(51)49-29-14-16-31-52(49)61/h1-41H.
What are the key properties of 1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine?
1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-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 1-N,8-N,8-N-triphenyl-1-N-(10-phenylspiro[acridine-9,9'-fluorene]-3-yl)dibenzofuran-1,8-diamine is sourced from PubChem (CID 155483433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).