N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine

C53H37NO — CID 167403354

IUPACN-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc43)cc21
InChIInChI=1S/C53H37NO/c1-53(2)49-22-11-10-18-43(49)44-30-26-37(32-50(44)53)41-20-12-21-46-48-33-47(42-17-8-9-19-45(42)52(48)55-51(41)46)35-24-27-39(28-25-35)54(38-15-4-3-5-16-38)40-29-23-34-13-6-7-14-36(34)31-40/h3-33H,1-2H3
InChIKeyXFRQITITPUXKJP-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.00
Rot. Bonds5

About N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 167403354) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID167403354
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc43)cc21
InChIInChI=1S/C53H37NO/c1-53(2)49-22-11-10-18-43(49)44-30-26-37(32-50(44)53)41-20-12-21-46-48-33-47(42-17-8-9-19-45(42)52(48)55-51(41)46)35-24-27-39(28-25-35)54(38-15-4-3-5-16-38)40-29-23-34-13-6-7-14-36(34)31-40/h3-33H,1-2H3
InChIKeyXFRQITITPUXKJP-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-2-yl-7-phenylfluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anthracen-2-amine
CID 157416955
N-[3-(7,10-diphenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167253257
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylfluoren-2-amine
CID 130466783
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-dibenzofuran-4-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 146270972
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 176588375
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 130466784
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;methane;N-naphthalen-2-yl-6-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-4-amine
CID 158266678
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144181
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-[4-[5-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 167143477

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine (CID 167403354) is N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine is CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc43)cc21.
What is the InChIKey of N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is XFRQITITPUXKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)49-22-11-10-18-43(49)44-30-26-37(32-50(44)53)41-20-12-21-46-48-33-47(42-17-8-9-19-45(42)52(48)55-51(41)46)35-24-27-39(28-25-35)54(38-15-4-3-5-16-38)40-29-23-34-13-6-7-14-36(34)31-40/h3-33H,1-2H3.
What are the key properties of N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 703.89 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 167403354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).