N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine

C55H39NO — CID 121321549

IUPACN-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C55H39NO/c1-55(2)50-34-40(44-23-13-17-36-16-6-7-20-43(36)44)26-29-46(50)47-30-28-42(35-51(47)55)56(52-24-10-8-21-45(52)37-14-4-3-5-15-37)41-19-12-18-38(32-41)39-27-31-54-49(33-39)48-22-9-11-25-53(48)57-54/h3-35H,1-2H3
InChIKeyMQJLRELOLQKIGX-UHFFFAOYSA-N
MW729.92 g/mol
LogP15.52
Rot. Bonds6

About N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine

N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 121321549) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID121321549
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC NameN-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C55H39NO/c1-55(2)50-34-40(44-23-13-17-36-16-6-7-20-43(36)44)26-29-46(50)47-30-28-42(35-51(47)55)56(52-24-10-8-21-45(52)37-14-4-3-5-15-37)41-19-12-18-38(32-41)39-27-31-54-49(33-39)48-22-9-11-25-53(48)57-54/h3-35H,1-2H3
InChIKeyMQJLRELOLQKIGX-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.92
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
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
N-(2-dibenzofuran-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-2-amine
CID 167325738
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)fluoren-2-amine
CID 160649120
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422616
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 158112378
N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167324589
2-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167323911
3-dibenzofuran-1-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N-phenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 160960563
7-dibenzofuran-2-yl-9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 121327924

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine (CID 121321549) is N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(N(c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is MQJLRELOLQKIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-55(2)50-34-40(44-23-13-17-36-16-6-7-20-43(36)44)26-29-46(50)47-30-28-42(35-51(47)55)56(52-24-10-8-21-45(52)37-14-4-3-5-15-37)41-19-12-18-38(32-41)39-27-31-54-49(33-39)48-22-9-11-25-53(48)57-54/h3-35H,1-2H3.
What are the key properties of N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine?
N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 729.92 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 121321549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).