N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine

C46H35NO — CID 118405343

IUPACN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3c(ccc5c3oc3ccccc35)C4(C)C)c3cccc4ccccc34)cc21
InChIInChI=1S/C46H35NO/c1-45(2)38-24-21-29(26-36(38)43-39(45)25-23-35-34-16-8-10-19-42(34)48-44(35)43)47(41-18-11-13-28-12-5-6-14-31(28)41)30-20-22-33-32-15-7-9-17-37(32)46(3,4)40(33)27-30/h5-27H,1-4H3
InChIKeyRVZVTGLGANWQHE-UHFFFAOYSA-N
MW617.79 g/mol
LogP12.82
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine (PubChem CID 118405343) has the molecular formula C46H35NO and a molecular weight of 617.79 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine
PubChem CID118405343
Molecular FormulaC46H35NO
Molecular Weight617.79 g/mol
Exact Mass617.27
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3c(ccc5c3oc3ccccc35)C4(C)C)c3cccc4ccccc34)cc21
InChIInChI=1S/C46H35NO/c1-45(2)38-24-21-29(26-36(38)43-39(45)25-23-35-34-16-8-10-19-42(34)48-44(35)43)47(41-18-11-13-28-12-5-6-14-31(28)41)30-20-22-33-32-15-7-9-17-37(32)46(3,4)40(33)27-30/h5-27H,1-4H3
InChIKeyRVZVTGLGANWQHE-UHFFFAOYSA-N
XLogP12.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.79
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
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-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 154960896
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
6-dibenzofuran-4-yl-N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169295348
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine
CID 170353074
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(9,9-dimethylfluoren-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-triphenylen-2-yldibenzofuran-4-amine
CID 160951573
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine
CID 159006380
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine (CID 118405343) is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3c(ccc5c3oc3ccccc35)C4(C)C)c3cccc4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine?
The InChIKey is RVZVTGLGANWQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NO/c1-45(2)38-24-21-29(26-36(38)43-39(45)25-23-35-34-16-8-10-19-42(34)48-44(35)43)47(41-18-11-13-28-12-5-6-14-31(28)41)30-20-22-33-32-15-7-9-17-37(32)46(3,4)40(33)27-30/h5-27H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine?
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine has a molecular weight of 617.79 g/mol, XLogP of 12.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine is sourced from PubChem (CID 118405343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).