N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine

C49H35NO — CID 167324589

IUPACN-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4ccc5oc6ccccc6c5c4)c4cccc5ccccc45)cc3)cc21
InChIInChI=1S/C49H35NO/c1-49(2)43-18-8-5-16-39(43)40-28-24-34(31-44(40)49)32-22-26-36(27-23-32)50(46-20-11-13-33-12-3-4-14-37(33)46)45-19-9-6-15-38(45)35-25-29-48-42(30-35)41-17-7-10-21-47(41)51-48/h3-31H,1-2H3
InChIKeyQWOFDADQKBWLLQ-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.85
Rot. Bonds5

About N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine

N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine (PubChem CID 167324589) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
PubChem CID167324589
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4ccc5oc6ccccc6c5c4)c4cccc5ccccc45)cc3)cc21
InChIInChI=1S/C49H35NO/c1-49(2)43-18-8-5-16-39(43)40-28-24-34(31-44(40)49)32-22-26-36(27-23-32)50(46-20-11-13-33-12-3-4-14-37(33)46)45-19-9-6-15-38(45)35-25-29-48-42(30-35)41-17-7-10-21-47(41)51-48/h3-31H,1-2H3
InChIKeyQWOFDADQKBWLLQ-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167324779
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157298586
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine
CID 121321549
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 167326417
N-(2-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167325077
N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 121321626
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964327
7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(2-phenylphenyl)phenyl]fluoren-2-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N-naphthalen-1-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 157073762

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine (CID 167324589) is N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4ccc5oc6ccccc6c5c4)c4cccc5ccccc45)cc3)cc21.
What is the InChIKey of N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine?
The InChIKey is QWOFDADQKBWLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)43-18-8-5-16-39(43)40-28-24-34(31-44(40)49)32-22-26-36(27-23-32)50(46-20-11-13-33-12-3-4-14-37(33)46)45-19-9-6-15-38(45)35-25-29-48-42(30-35)41-17-7-10-21-47(41)51-48/h3-31H,1-2H3.
What are the key properties of N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine?
N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine has a molecular weight of 653.83 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 167324589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).