N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine

C54H39NO2 — CID 170353074

IUPACN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3c(ccc5c3oc3ccccc35)C4(C)C)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc21
InChIInChI=1S/C54H39NO2/c1-53(2)40-20-11-8-17-35(40)36-26-25-33(31-43(36)53)55(45-30-28-34(32-15-6-5-7-16-32)51-48(45)39-19-10-13-24-47(39)57-51)44-22-14-21-41-49(44)50-42(54(41,3)4)29-27-38-37-18-9-12-23-46(37)56-52(38)50/h5-31H,1-4H3
InChIKeyGFALQDNXVFJZGT-UHFFFAOYSA-N
MW733.91 g/mol
LogP15.23
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine (PubChem CID 170353074) has the molecular formula C54H39NO2 and a molecular weight of 733.91 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine
PubChem CID170353074
Molecular FormulaC54H39NO2
Molecular Weight733.91 g/mol
Exact Mass733.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3c(ccc5c3oc3ccccc35)C4(C)C)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc21
InChIInChI=1S/C54H39NO2/c1-53(2)40-20-11-8-17-35(40)36-26-25-33(31-43(36)53)55(45-30-28-34(32-15-6-5-7-16-32)51-48(45)39-19-10-13-24-47(39)57-51)44-22-14-21-41-49(44)50-42(54(41,3)4)29-27-38-37-18-9-12-23-46(37)56-52(38)50/h5-31H,1-4H3
InChIKeyGFALQDNXVFJZGT-UHFFFAOYSA-N
XLogP15.23
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.91
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine
CID 176821802
15,15,25,25-tetramethyl-N-(2-phenylphenyl)-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine
CID 155088668
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenyldibenzofuran-1-amine
CID 176607730
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168789334
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine
CID 118405343
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 160595414
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069498
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine (CID 170353074) is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc4c3-c3c(ccc5c3oc3ccccc35)C4(C)C)c3ccc(-c4ccccc4)c4oc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine?
The InChIKey is GFALQDNXVFJZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NO2/c1-53(2)40-20-11-8-17-35(40)36-26-25-33(31-43(36)53)55(45-30-28-34(32-15-6-5-7-16-32)51-48(45)39-19-10-13-24-47(39)57-51)44-22-14-21-41-49(44)50-42(54(41,3)4)29-27-38-37-18-9-12-23-46(37)56-52(38)50/h5-31H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine?
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine has a molecular weight of 733.91 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine is sourced from PubChem (CID 170353074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).