N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine

C69H57NO — CID 176759722

IUPACN-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1-c1ccc(N(c2cccc(C3(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccccc43)c2)c2cccc3oc4ccc(-c5ccccc5)cc4c23)cc1
InChIInChI=1S/C69H57NO/c1-67(2,3)60-33-19-34-61(68(4,5)6)65(60)48-37-40-53(41-38-48)70(62-35-20-36-64-66(62)57-44-50(39-42-63(57)71-64)47-23-11-8-12-24-47)54-28-18-27-52(45-54)69(51-26-17-25-49(43-51)46-21-9-7-10-22-46)58-31-15-13-29-55(58)56-30-14-16-32-59(56)69/h7-45H,1-6H3
InChIKeyGWSGIHQOXMHNNL-UHFFFAOYSA-N
MW916.22 g/mol
LogP19.01
Rot. Bonds8

About N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine

N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine (PubChem CID 176759722) has the molecular formula C69H57NO and a molecular weight of 916.22 g/mol. Its IUPAC name is N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
PubChem CID176759722
Molecular FormulaC69H57NO
Molecular Weight916.22 g/mol
Exact Mass915.44
IUPAC NameN-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1-c1ccc(N(c2cccc(C3(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccccc43)c2)c2cccc3oc4ccc(-c5ccccc5)cc4c23)cc1
InChIInChI=1S/C69H57NO/c1-67(2,3)60-33-19-34-61(68(4,5)6)65(60)48-37-40-53(41-38-48)70(62-35-20-36-64-66(62)57-44-50(39-42-63(57)71-64)47-23-11-8-12-24-47)54-28-18-27-52(45-54)69(51-26-17-25-49(43-51)46-21-9-7-10-22-46)58-31-15-13-29-55(58)56-30-14-16-32-59(56)69/h7-45H,1-6H3
InChIKeyGWSGIHQOXMHNNL-UHFFFAOYSA-N
XLogP19.01
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.22
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759880
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 176759987
N-[3-(9-phenylfluoren-9-yl)phenyl]-N,1-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281054
8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 170045111
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
8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759756
3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170666333
N-dibenzothiophen-4-yl-N-[3-(2,9-diphenylfluoren-9-yl)phenyl]-8-phenyldibenzofuran-1-amine
CID 176759746

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine (CID 176759722) is N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine is CC(C)(C)c1cccc(C(C)(C)C)c1-c1ccc(N(c2cccc(C3(c4cccc(-c5ccccc5)c4)c4ccccc4-c4ccccc43)c2)c2cccc3oc4ccc(-c5ccccc5)cc4c23)cc1.
What is the InChIKey of N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
The InChIKey is GWSGIHQOXMHNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H57NO/c1-67(2,3)60-33-19-34-61(68(4,5)6)65(60)48-37-40-53(41-38-48)70(62-35-20-36-64-66(62)57-44-50(39-42-63(57)71-64)47-23-11-8-12-24-47)54-28-18-27-52(45-54)69(51-26-17-25-49(43-51)46-21-9-7-10-22-46)58-31-15-13-29-55(58)56-30-14-16-32-59(56)69/h7-45H,1-6H3.
What are the key properties of N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine has a molecular weight of 916.22 g/mol, XLogP of 19.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176759722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).