N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine

C49H35NO — CID 167144127

IUPACN-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3c5ccccc5c(-c5ccccc5)cc43)cc21
InChIInChI=1S/C49H35NO/c1-49(2)45-20-12-11-18-39(45)40-27-25-36(29-46(40)49)50(35-23-21-33(22-24-35)32-13-5-3-6-14-32)37-26-28-41-44-31-43(34-15-7-4-8-16-34)38-17-9-10-19-42(38)48(44)51-47(41)30-37/h3-31H,1-2H3
InChIKeySZGRSJXPYVPVJY-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.85
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine

N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 167144127) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID167144127
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3c5ccccc5c(-c5ccccc5)cc43)cc21
InChIInChI=1S/C49H35NO/c1-49(2)45-20-12-11-18-39(45)40-27-25-36(29-46(40)49)50(35-23-21-33(22-24-35)32-13-5-3-6-14-32)37-26-28-41-44-31-43(34-15-7-4-8-16-34)38-17-9-10-19-42(38)48(44)51-47(41)30-37/h3-31H,1-2H3
InChIKeySZGRSJXPYVPVJY-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169022159
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 155423705
N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 169285279
5-cyclohexa-1,5-dien-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167252538
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-5-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 155423580
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-diphenyldibenzofuran-4-amine
CID 174261155
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
9,9-dimethyl-N-[4-[8-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167403290
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (CID 167144127) is N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3c5ccccc5c(-c5ccccc5)cc43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is SZGRSJXPYVPVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)45-20-12-11-18-39(45)40-27-25-36(29-46(40)49)50(35-23-21-33(22-24-35)32-13-5-3-6-14-32)37-26-28-41-44-31-43(34-15-7-4-8-16-34)38-17-9-10-19-42(38)48(44)51-47(41)30-37/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 653.83 g/mol, XLogP of 13.85, 5 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)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 167144127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).