2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine

C49H36N2O — CID 129194396

IUPAC2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2c(Nc3ccc4c(c3)OC3C=CC(N(c5ccccc5)c5ccccc5)=CC43)cccc21
InChIInChI=1S/C49H36N2O/c1-3-14-33(15-4-1)51(34-16-5-2-6-17-34)35-27-29-46-40(31-35)38-28-26-32(30-47(38)52-46)50-45-25-13-24-44-48(45)39-20-9-12-23-43(39)49(44)41-21-10-7-18-36(41)37-19-8-11-22-42(37)49/h1-10,12-21,23-31,40,46,50H,11,22H2
InChIKeyRJIZPXQFFNCFIW-UHFFFAOYSA-N
MW668.84 g/mol
LogP12.00
Rot. Bonds5

About 2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine

2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine (PubChem CID 129194396) has the molecular formula C49H36N2O and a molecular weight of 668.84 g/mol. Its IUPAC name is 2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine
PubChem CID129194396
Molecular FormulaC49H36N2O
Molecular Weight668.84 g/mol
Exact Mass668.28
IUPAC Name2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2c(Nc3ccc4c(c3)OC3C=CC(N(c5ccccc5)c5ccccc5)=CC43)cccc21
InChIInChI=1S/C49H36N2O/c1-3-14-33(15-4-1)51(34-16-5-2-6-17-34)35-27-29-46-40(31-35)38-28-26-32(30-47(38)52-46)50-45-25-13-24-44-48(45)39-20-9-12-23-43(39)49(44)41-21-10-7-18-36(41)37-19-8-11-22-42(37)49/h1-10,12-21,23-31,40,46,50H,11,22H2
InChIKeyRJIZPXQFFNCFIW-UHFFFAOYSA-N
XLogP12.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 512.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138582682
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine
CID 170112526
3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline
CID 163520915
N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine
CID 137427270
4-N'-cyclohexa-1,5-dien-1-yl-2-N-phenyl-4-N'-(6-phenylcyclohexa-2,4-dien-1-yl)-2-N-(4-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
CID 135218208
N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
CID 70822820
N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 123261989
N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine
CID 138583044
N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine
CID 129301080
N-dibenzofuran-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 166960056
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine?
The IUPAC name of 2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine (CID 129194396) is 2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine.
What is the SMILES notation for 2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine?
The canonical SMILES for 2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine is C1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2c(Nc3ccc4c(c3)OC3C=CC(N(c5ccccc5)c5ccccc5)=CC43)cccc21.
What is the InChIKey of 2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine?
The InChIKey is RJIZPXQFFNCFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2O/c1-3-14-33(15-4-1)51(34-16-5-2-6-17-34)35-27-29-46-40(31-35)38-28-26-32(30-47(38)52-46)50-45-25-13-24-44-48(45)39-20-9-12-23-43(39)49(44)41-21-10-7-18-36(41)37-19-8-11-22-42(37)49/h1-10,12-21,23-31,40,46,50H,11,22H2.
What are the key properties of 2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine?
2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine has a molecular weight of 668.84 g/mol, XLogP of 12.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine is sourced from PubChem (CID 129194396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).