N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine

C70H49NO — CID 176759880

IUPACN-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2cc(N(c3cccc(C4(c5cccc(-c6ccccc6)c5)c5ccccc5-c5ccccc54)c3)c3cccc4oc5ccc(-c6ccccc6)cc5c34)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C70H49NO/c1-69(2)62-35-18-32-55(48-24-10-5-11-25-48)67(62)58-40-39-54(45-63(58)69)71(64-36-19-37-66-68(64)59-43-50(38-41-65(59)72-66)47-22-8-4-9-23-47)53-29-17-28-52(44-53)70(51-27-16-26-49(42-51)46-20-6-3-7-21-46)60-33-14-12-30-56(60)57-31-13-15-34-61(57)70/h3-45H,1-2H3
InChIKeyRUZVUHWEUZNFTD-UHFFFAOYSA-N
MW920.17 g/mol
LogP18.73
Rot. Bonds8

About N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine

N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine (PubChem CID 176759880) has the molecular formula C70H49NO and a molecular weight of 920.17 g/mol. Its IUPAC name is N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
PubChem CID176759880
Molecular FormulaC70H49NO
Molecular Weight920.17 g/mol
Exact Mass919.38
IUPAC NameN-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2cc(N(c3cccc(C4(c5cccc(-c6ccccc6)c5)c5ccccc5-c5ccccc54)c3)c3cccc4oc5ccc(-c6ccccc6)cc5c34)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C70H49NO/c1-69(2)62-35-18-32-55(48-24-10-5-11-25-48)67(62)58-40-39-54(45-63(58)69)71(64-36-19-37-66-68(64)59-43-50(38-41-65(59)72-66)47-22-8-4-9-23-47)53-29-17-28-52(44-53)70(51-27-16-26-49(42-51)46-20-6-3-7-21-46)60-33-14-12-30-56(60)57-31-13-15-34-61(57)70/h3-45H,1-2H3
InChIKeyRUZVUHWEUZNFTD-UHFFFAOYSA-N
XLogP18.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.17
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
N-[8-(2,6-diphenylphenyl)dibenzofuran-1-yl]-8-phenyl-N-[3-[9-phenyl-4-(8-phenyldibenzofuran-1-yl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176760020
N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759722
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-amine
CID 169039724
N-(4-dibenzofuran-2-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 135193270
N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 176759987
3-N-dibenzofuran-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 147012839
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]fluoren-2-amine
CID 176846292
N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 167309850
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine (CID 176759880) is N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine is CC1(C)c2cc(N(c3cccc(C4(c5cccc(-c6ccccc6)c5)c5ccccc5-c5ccccc54)c3)c3cccc4oc5ccc(-c6ccccc6)cc5c34)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
The InChIKey is RUZVUHWEUZNFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49NO/c1-69(2)62-35-18-32-55(48-24-10-5-11-25-48)67(62)58-40-39-54(45-63(58)69)71(64-36-19-37-66-68(64)59-43-50(38-41-65(59)72-66)47-22-8-4-9-23-47)53-29-17-28-52(44-53)70(51-27-16-26-49(42-51)46-20-6-3-7-21-46)60-33-14-12-30-56(60)57-31-13-15-34-61(57)70/h3-45H,1-2H3.
What are the key properties of N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine has a molecular weight of 920.17 g/mol, XLogP of 18.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176759880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).