N-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine

C55H43NO — CID 144907083

IUPACN-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C5=CC=CC=CC5)cc4)cc3)c3ccc4c(c3)-c3c(ccc5c3oc3ccccc35)C4(C)C)cc21
InChIInChI=1S/C55H43NO/c1-54(2)48-31-28-40(33-46(48)52-49(54)32-30-45-44-16-10-12-18-51(44)57-53(45)52)56(41-27-29-43-42-15-9-11-17-47(42)55(3,4)50(43)34-41)39-25-23-38(24-26-39)37-21-19-36(20-22-37)35-13-7-5-6-8-14-35/h5-13,15-34H,14H2,1-4H3
InChIKeyGVCXASZFNICZMX-UHFFFAOYSA-N
MW733.96 g/mol
LogP15.23
Rot. Bonds5

About N-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine

N-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine (PubChem CID 144907083) has the molecular formula C55H43NO and a molecular weight of 733.96 g/mol. Its IUPAC name is N-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine
PubChem CID144907083
Molecular FormulaC55H43NO
Molecular Weight733.96 g/mol
Exact Mass733.33
IUPAC NameN-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C5=CC=CC=CC5)cc4)cc3)c3ccc4c(c3)-c3c(ccc5c3oc3ccccc35)C4(C)C)cc21
InChIInChI=1S/C55H43NO/c1-54(2)48-31-28-40(33-46(48)52-49(54)32-30-45-44-16-10-12-18-51(44)57-53(45)52)56(41-27-29-43-42-15-9-11-17-47(42)55(3,4)50(43)34-41)39-25-23-38(24-26-39)37-21-19-36(20-22-37)35-13-7-5-6-8-14-35/h5-13,15-34H,14H2,1-4H3
InChIKeyGVCXASZFNICZMX-UHFFFAOYSA-N
XLogP15.23
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.96
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine with MolForge

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Related Compounds

N-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 118405235
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine
CID 118405343
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
7,7-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 118405244
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
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 159965334
N-(9,9-dimethylfluoren-2-yl)-N-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine
CID 144907267
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
7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 161155666
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine?
The IUPAC name of N-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine (CID 144907083) is N-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine.
What is the SMILES notation for N-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine?
The canonical SMILES for N-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(C5=CC=CC=CC5)cc4)cc3)c3ccc4c(c3)-c3c(ccc5c3oc3ccccc35)C4(C)C)cc21.
What is the InChIKey of N-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine?
The InChIKey is GVCXASZFNICZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43NO/c1-54(2)48-31-28-40(33-46(48)52-49(54)32-30-45-44-16-10-12-18-51(44)57-53(45)52)56(41-27-29-43-42-15-9-11-17-47(42)55(3,4)50(43)34-41)39-25-23-38(24-26-39)37-21-19-36(20-22-37)35-13-7-5-6-8-14-35/h5-13,15-34H,14H2,1-4H3.
What are the key properties of N-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine?
N-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine has a molecular weight of 733.96 g/mol, XLogP of 15.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohepta-1,3,5-trien-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-amine is sourced from PubChem (CID 144907083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).