9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine

C69H57NO — CID 158201321

IUPAC9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3c(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)cc1
InChIInChI=1S/C69H57NO/c1-67(2,3)51-34-38-53(39-35-51)69(54-40-36-52(37-41-54)68(4,5)6)61-22-12-10-19-60(61)65-62(69)23-15-24-63(65)70(55-42-30-49(31-43-55)48-28-26-47(27-29-48)46-16-8-7-9-17-46)56-44-32-50(33-45-56)57-20-14-21-59-58-18-11-13-25-64(58)71-66(57)59/h7-45H,1-6H3
InChIKeyYSHBHRCSVAKMIB-UHFFFAOYSA-N
MW916.22 g/mol
LogP19.01
Rot. Bonds8

About 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine

9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 158201321) has the molecular formula C69H57NO and a molecular weight of 916.22 g/mol. Its IUPAC name is 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID158201321
Molecular FormulaC69H57NO
Molecular Weight916.22 g/mol
Exact Mass915.44
IUPAC Name9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3c(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)cc1
InChIInChI=1S/C69H57NO/c1-67(2,3)51-34-38-53(39-35-51)69(54-40-36-52(37-41-54)68(4,5)6)61-22-12-10-19-60(61)65-62(69)23-15-24-63(65)70(55-42-30-49(31-43-55)48-28-26-47(27-29-48)46-16-8-7-9-17-46)56-44-32-50(33-45-56)57-20-14-21-59-58-18-11-13-25-64(58)71-66(57)59/h7-45H,1-6H3
InChIKeyYSHBHRCSVAKMIB-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

9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017
N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769011
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142480974
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164769069
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 146251247
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-9,9-bis(4-phenylphenyl)fluoren-2-amine
CID 158372369
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168804523
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 146251209
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424479
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine (CID 158201321) is 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3c(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)cc1.
What is the InChIKey of 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is YSHBHRCSVAKMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H57NO/c1-67(2,3)51-34-38-53(39-35-51)69(54-40-36-52(37-41-54)68(4,5)6)61-22-12-10-19-60(61)65-62(69)23-15-24-63(65)70(55-42-30-49(31-43-55)48-28-26-47(27-29-48)46-16-8-7-9-17-46)56-44-32-50(33-45-56)57-20-14-21-59-58-18-11-13-25-64(58)71-66(57)59/h7-45H,1-6H3.
What are the key properties of 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-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 9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 158201321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).