N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine

C59H43NO — CID 155440841

IUPACN-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(C4C=CC=CC4)c3)c3ccc4c(c3)oc3c5ccccc5c(-c5cccc6ccccc56)cc43)cc21
InChIInChI=1S/C59H43NO/c1-59(2)55-27-14-13-24-49(55)50-30-28-43(35-56(50)59)60(45-33-41(38-16-5-3-6-17-38)32-42(34-45)39-18-7-4-8-19-39)44-29-31-51-54-37-53(47-26-15-21-40-20-9-10-22-46(40)47)48-23-11-12-25-52(48)58(54)61-57(51)36-44/h3-18,20-37,39H,19H2,1-2H3
InChIKeyGFZCIIIIXOLLOP-UHFFFAOYSA-N
MW782.00 g/mol
LogP16.60
Rot. Bonds6

About N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine

N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 155440841) has the molecular formula C59H43NO and a molecular weight of 782.00 g/mol. Its IUPAC name is N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine
PubChem CID155440841
Molecular FormulaC59H43NO
Molecular Weight782.00 g/mol
Exact Mass781.33
IUPAC NameN-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(C4C=CC=CC4)c3)c3ccc4c(c3)oc3c5ccccc5c(-c5cccc6ccccc56)cc43)cc21
InChIInChI=1S/C59H43NO/c1-59(2)55-27-14-13-24-49(55)50-30-28-43(35-56(50)59)60(45-33-41(38-16-5-3-6-17-38)32-42(34-45)39-18-7-4-8-19-39)44-29-31-51-54-37-53(47-26-15-21-40-20-9-10-22-46(40)47)48-23-11-12-25-52(48)58(54)61-57(51)36-44/h3-18,20-37,39H,19H2,1-2H3
InChIKeyGFZCIIIIXOLLOP-UHFFFAOYSA-N
XLogP16.60
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.00
LogP ≤ 516.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 155423705
N-[3-(7-cyclohexa-2,4-dien-1-yl-5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167253532
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167144127
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-5-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 155423580
N-(9,9-dimethylfluoren-2-yl)-16-naphthalen-1-yl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine
CID 171433107
N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423614
N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 169285279
N-(4-cyclohexa-2,4-dien-1-yl-2-fluoro-6-phenylphenyl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
CID 157172777
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169022159
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161386927
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

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine (CID 155440841) is N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(C4C=CC=CC4)c3)c3ccc4c(c3)oc3c5ccccc5c(-c5cccc6ccccc56)cc43)cc21.
What is the InChIKey of N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is GFZCIIIIXOLLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43NO/c1-59(2)55-27-14-13-24-49(55)50-30-28-43(35-56(50)59)60(45-33-41(38-16-5-3-6-17-38)32-42(34-45)39-18-7-4-8-19-39)44-29-31-51-54-37-53(47-26-15-21-40-20-9-10-22-46(40)47)48-23-11-12-25-52(48)58(54)61-57(51)36-44/h3-18,20-37,39H,19H2,1-2H3.
What are the key properties of N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine?
N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 782.00 g/mol, XLogP of 16.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 155440841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).