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

C61H45NO — CID 167253532

IUPACN-[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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(C5C=CC=CC5)c5c4oc4c6ccccc6c(-c6ccccc6)cc45)c3)cc21
InChIInChI=1S/C61H45NO/c1-61(2)56-28-15-14-26-51(56)52-34-33-47(38-57(52)61)62(45-31-29-41(30-32-45)40-17-6-3-7-18-40)46-24-16-23-44(37-46)49-36-35-48(42-19-8-4-9-20-42)58-55-39-54(43-21-10-5-11-22-43)50-25-12-13-27-53(50)59(55)63-60(49)58/h3-19,21-39,42H,20H2,1-2H3
InChIKeyLJCPCIVTZPPXOG-UHFFFAOYSA-N
MW808.04 g/mol
LogP17.12
Rot. Bonds7

About 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

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 (PubChem CID 167253532) has the molecular formula C61H45NO and a molecular weight of 808.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID167253532
Molecular FormulaC61H45NO
Molecular Weight808.04 g/mol
Exact Mass807.35
IUPAC NameN-[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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(C5C=CC=CC5)c5c4oc4c6ccccc6c(-c6ccccc6)cc45)c3)cc21
InChIInChI=1S/C61H45NO/c1-61(2)56-28-15-14-26-51(56)52-34-33-47(38-57(52)61)62(45-31-29-41(30-32-45)40-17-6-3-7-18-40)46-24-16-23-44(37-46)49-36-35-48(42-19-8-4-9-20-42)58-55-39-54(43-21-10-5-11-22-43)50-25-12-13-27-53(50)59(55)63-60(49)58/h3-19,21-39,42H,20H2,1-2H3
InChIKeyLJCPCIVTZPPXOG-UHFFFAOYSA-N
XLogP17.12
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.04
LogP ≤ 517.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

N-[3-(7,10-diphenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167253257
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 167403354
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
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144181
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)-10-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167402717
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
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)-5-(2-phenylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-(9,9-dimethylfluoren-2-yl)-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;5-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 158540927
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6-trimethylsilyldibenzofuran-4-yl)phenyl]fluoren-2-amine
CID 90125958
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc(C5C=CC=CC5)c5c4oc4c6ccccc6c(-c6ccccc6)cc45)c3)cc21.
What is the InChIKey of 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?
The InChIKey is LJCPCIVTZPPXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45NO/c1-61(2)56-28-15-14-26-51(56)52-34-33-47(38-57(52)61)62(45-31-29-41(30-32-45)40-17-6-3-7-18-40)46-24-16-23-44(37-46)49-36-35-48(42-19-8-4-9-20-42)58-55-39-54(43-21-10-5-11-22-43)50-25-12-13-27-53(50)59(55)63-60(49)58/h3-19,21-39,42H,20H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 808.04 g/mol, XLogP of 17.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167253532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).