N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine

C47H33NO — CID 167253385

IUPACN-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cc(-c4ccc5ccccc5c4)c4c(c3)oc3c5ccccc5c(-c5ccccc5)cc34)cc21
InChIInChI=1S/C47H33NO/c1-47(2)42-19-11-10-17-36(42)37-23-22-33(26-43(37)47)48-34-25-40(32-21-20-29-12-6-7-15-31(29)24-32)45-41-28-39(30-13-4-3-5-14-30)35-16-8-9-18-38(35)46(41)49-44(45)27-34/h3-28,48H,1-2H3
InChIKeyVPWVOLAVXGYNKZ-UHFFFAOYSA-N
MW627.79 g/mol
LogP13.28
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine

N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 167253385) has the molecular formula C47H33NO and a molecular weight of 627.79 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
PubChem CID167253385
Molecular FormulaC47H33NO
Molecular Weight627.79 g/mol
Exact Mass627.26
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3cc(-c4ccc5ccccc5c4)c4c(c3)oc3c5ccccc5c(-c5ccccc5)cc34)cc21
InChIInChI=1S/C47H33NO/c1-47(2)42-19-11-10-17-36(42)37-23-22-33(26-43(37)47)48-34-25-40(32-21-20-29-12-6-7-15-31(29)24-32)45-41-28-39(30-13-4-3-5-14-30)35-16-8-9-18-38(35)46(41)49-44(45)27-34/h3-28,48H,1-2H3
InChIKeyVPWVOLAVXGYNKZ-UHFFFAOYSA-N
XLogP13.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 513.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171752123
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167252479
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
CID 177113997
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 155423705
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
9,9-dimethyl-N-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-phenylfluoren-2-amine
CID 167143361
N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 167403354
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 146270972
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022367

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine (CID 167253385) is N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine is CC1(C)c2ccccc2-c2ccc(Nc3cc(-c4ccc5ccccc5c4)c4c(c3)oc3c5ccccc5c(-c5ccccc5)cc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is VPWVOLAVXGYNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO/c1-47(2)42-19-11-10-17-36(42)37-23-22-33(26-43(37)47)48-34-25-40(32-21-20-29-12-6-7-15-31(29)24-32)45-41-28-39(30-13-4-3-5-14-30)35-16-8-9-18-38(35)46(41)49-44(45)27-34/h3-28,48H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 627.79 g/mol, XLogP of 13.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 167253385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).