2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine

C68H71N — CID 177067762

IUPAC2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC(C)(C)c1ccc(C2(c3cccc(C(C)(C)C)c3)c3cc(C(C)(C)C)ccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(C(C)(C)C)cc32)cc1
InChIInChI=1S/C68H71N/c1-63(2,3)46-29-31-47(32-30-46)68(50-24-20-23-48(39-50)64(4,5)6)59-40-49(65(7,8)9)33-37-56(59)62-60(68)41-51(66(10,11)12)42-61(62)69(52-34-27-45(28-35-52)44-21-16-15-17-22-44)53-36-38-55-54-25-18-19-26-57(54)67(13,14)58(55)43-53/h15-43H,1-14H3
InChIKeyGTEHAMPOOIRSLV-UHFFFAOYSA-N
MW902.32 g/mol
LogP18.68
Rot. Bonds6

About 2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine

2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 177067762) has the molecular formula C68H71N and a molecular weight of 902.32 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID177067762
Molecular FormulaC68H71N
Molecular Weight902.32 g/mol
Exact Mass901.56
IUPAC Name2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC(C)(C)c1ccc(C2(c3cccc(C(C)(C)C)c3)c3cc(C(C)(C)C)ccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(C(C)(C)C)cc32)cc1
InChIInChI=1S/C68H71N/c1-63(2,3)46-29-31-47(32-30-46)68(50-24-20-23-48(39-50)64(4,5)6)59-40-49(65(7,8)9)33-37-56(59)62-60(68)41-51(66(10,11)12)42-61(62)69(52-34-27-45(28-35-52)44-21-16-15-17-22-44)53-36-38-55-54-25-18-19-26-57(54)67(13,14)58(55)43-53/h15-43H,1-14H3
InChIKeyGTEHAMPOOIRSLV-UHFFFAOYSA-N
XLogP18.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.32
LogP ≤ 518.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine
CID 155153830
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine
CID 154955026
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158846091
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384797
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582433
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
9,9-bis(4-tert-butylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]fluoren-2-amine
CID 170216975
N-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)fluoren-4-yl]-2',7'-ditert-butyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134415484
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N,7,9-tris(4-phenylphenyl)fluoren-2-amine;7,9-diphenyl-N,9-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N,5,7,9-tetraphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 163478746
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of 2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine (CID 177067762) is 2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for 2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for 2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine is CC(C)(C)c1ccc(C2(c3cccc(C(C)(C)C)c3)c3cc(C(C)(C)C)ccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(C(C)(C)C)cc32)cc1.
What is the InChIKey of 2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is GTEHAMPOOIRSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H71N/c1-63(2,3)46-29-31-47(32-30-46)68(50-24-20-23-48(39-50)64(4,5)6)59-40-49(65(7,8)9)33-37-56(59)62-60(68)41-51(66(10,11)12)42-61(62)69(52-34-27-45(28-35-52)44-21-16-15-17-22-44)53-36-38-55-54-25-18-19-26-57(54)67(13,14)58(55)43-53/h15-43H,1-14H3.
What are the key properties of 2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine?
2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 902.32 g/mol, XLogP of 18.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9-(3-tert-butylphenyl)-9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 177067762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).