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

C64H47NO — CID 170217536

IUPACN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc4oc5c6ccccc6ccc5c34)cc21
InChIInChI=1S/C64H47NO/c1-63(2)54-26-12-9-22-48(54)50-37-34-42(39-56(50)63)45-19-11-14-28-57(45)65(58-29-16-30-59-60(58)53-38-33-40-17-5-6-20-46(40)62(53)66-59)43-35-31-41(32-36-43)44-18-7-8-21-47(44)51-24-15-25-52-49-23-10-13-27-55(49)64(3,4)61(51)52/h5-39H,1-4H3
InChIKeyQSDWQULSEMFCMI-UHFFFAOYSA-N
MW846.09 g/mol
LogP17.82
Rot. Bonds6

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

N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 170217536) has the molecular formula C64H47NO and a molecular weight of 846.09 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID170217536
Molecular FormulaC64H47NO
Molecular Weight846.09 g/mol
Exact Mass845.37
IUPAC NameN-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc4oc5c6ccccc6ccc5c34)cc21
InChIInChI=1S/C64H47NO/c1-63(2)54-26-12-9-22-48(54)50-37-34-42(39-56(50)63)45-19-11-14-28-57(45)65(58-29-16-30-59-60(58)53-38-33-40-17-5-6-20-46(40)62(53)66-59)43-35-31-41(32-36-43)44-18-7-8-21-47(44)51-24-15-25-52-49-23-10-13-27-55(49)64(3,4)61(51)52/h5-39H,1-4H3
InChIKeyQSDWQULSEMFCMI-UHFFFAOYSA-N
XLogP17.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.09
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 166938756
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 170218059
2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline
CID 170217562
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzofuran-1-amine
CID 177121656
2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 170143125
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170137694
9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-1-amine
CID 166938674
N-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-4-amine
CID 166938750
N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423614
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 167330802
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
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330344

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 170217536) is N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccc(-c4ccccc4-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc4oc5c6ccccc6ccc5c34)cc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is QSDWQULSEMFCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47NO/c1-63(2)54-26-12-9-22-48(54)50-37-34-42(39-56(50)63)45-19-11-14-28-57(45)65(58-29-16-30-59-60(58)53-38-33-40-17-5-6-20-46(40)62(53)66-59)43-35-31-41(32-36-43)44-18-7-8-21-47(44)51-24-15-25-52-49-23-10-13-27-55(49)64(3,4)61(51)52/h5-39H,1-4H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 846.09 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 170217536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).