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

C63H45NO — CID 170215504

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c21
InChIInChI=1S/C63H45NO/c1-62(2)55-27-11-9-23-51(55)53-26-14-25-48(60(53)62)41-30-33-44(34-31-41)64(46-35-37-52-50-22-10-12-28-56(50)63(3,57(52)39-46)43-18-5-4-6-19-43)45-20-13-17-42(38-45)47-24-15-29-58-59(47)54-36-32-40-16-7-8-21-49(40)61(54)65-58/h4-39H,1-3H3
InChIKeyDLKAZJDKZAUSKE-UHFFFAOYSA-N
MW832.06 g/mol
LogP17.18
Rot. Bonds6

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

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine (PubChem CID 170215504) has the molecular formula C63H45NO and a molecular weight of 832.06 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine
PubChem CID170215504
Molecular FormulaC63H45NO
Molecular Weight832.06 g/mol
Exact Mass831.35
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c21
InChIInChI=1S/C63H45NO/c1-62(2)55-27-11-9-23-51(55)53-26-14-25-48(60(53)62)41-30-33-44(34-31-41)64(46-35-37-52-50-22-10-12-28-56(50)63(3,57(52)39-46)43-18-5-4-6-19-43)45-20-13-17-42(38-45)47-24-15-29-58-59(47)54-36-32-40-16-7-8-21-49(40)61(54)65-58/h4-39H,1-3H3
InChIKeyDLKAZJDKZAUSKE-UHFFFAOYSA-N
XLogP17.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.06
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
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-[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
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-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
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167330938
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 167330969
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170216623
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-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166938984

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine?
The IUPAC name of 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) is N-[4-(9,9-dimethylfluoren-1-yl)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-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine?
The InChIKey is DLKAZJDKZAUSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45NO/c1-62(2)55-27-11-9-23-51(55)53-26-14-25-48(60(53)62)41-30-33-44(34-31-41)64(46-35-37-52-50-22-10-12-28-56(50)63(3,57(52)39-46)43-18-5-4-6-19-43)45-20-13-17-42(38-45)47-24-15-29-58-59(47)54-36-32-40-16-7-8-21-49(40)61(54)65-58/h4-39H,1-3H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine has a molecular weight of 832.06 g/mol, XLogP of 17.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9-phenylfluoren-2-amine is sourced from PubChem (CID 170215504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).