N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine

C69H49NO — CID 170217459

IUPACN-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3-c3ccc(N(c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c21
InChIInChI=1S/C69H49NO/c1-68(2)61-31-13-11-27-56(61)59-30-16-29-58(66(59)68)54-25-10-9-23-51(54)45-34-37-48(38-35-45)70(50-39-41-57-55-26-12-14-32-62(55)69(3,63(57)43-50)47-20-5-4-6-21-47)49-22-15-19-46(42-49)52-28-17-33-64-65(52)60-40-36-44-18-7-8-24-53(44)67(60)71-64/h4-43H,1-3H3
InChIKeyHKNAPTPOIUYATA-UHFFFAOYSA-N
MW908.16 g/mol
LogP18.85
Rot. Bonds7

About N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine

N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine (PubChem CID 170217459) has the molecular formula C69H49NO and a molecular weight of 908.16 g/mol. Its IUPAC name is N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine
PubChem CID170217459
Molecular FormulaC69H49NO
Molecular Weight908.16 g/mol
Exact Mass907.38
IUPAC NameN-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3-c3ccc(N(c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c21
InChIInChI=1S/C69H49NO/c1-68(2)61-31-13-11-27-56(61)59-30-16-29-58(66(59)68)54-25-10-9-23-51(54)45-34-37-48(38-35-45)70(50-39-41-57-55-26-12-14-32-62(55)69(3,63(57)43-50)47-20-5-4-6-21-47)49-22-15-19-46(42-49)52-28-17-33-64-65(52)60-40-36-44-18-7-8-24-53(44)67(60)71-64/h4-43H,1-3H3
InChIKeyHKNAPTPOIUYATA-UHFFFAOYSA-N
XLogP18.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.16
LogP ≤ 518.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine
CID 170215504
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217892
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939628
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167330357
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167330938
3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 170216191
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 167330969
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170217449
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330344
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218403
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-9-phenyl-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218419

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine?
The IUPAC name of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine (CID 170217459) is N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine?
The canonical SMILES for N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2cccc(-c3ccccc3-c3ccc(N(c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c21.
What is the InChIKey of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine?
The InChIKey is HKNAPTPOIUYATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49NO/c1-68(2)61-31-13-11-27-56(61)59-30-16-29-58(66(59)68)54-25-10-9-23-51(54)45-34-37-48(38-35-45)70(50-39-41-57-55-26-12-14-32-62(55)69(3,63(57)43-50)47-20-5-4-6-21-47)49-22-15-19-46(42-49)52-28-17-33-64-65(52)60-40-36-44-18-7-8-24-53(44)67(60)71-64/h4-43H,1-3H3.
What are the key properties of N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine?
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine has a molecular weight of 908.16 g/mol, XLogP of 18.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine is sourced from PubChem (CID 170217459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).