4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine

C62H49NO — CID 176821768

IUPAC4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
SMILESCC(C)(C)c1cccc2c1oc1cc3c(cc12)-c1ccc(N(c2ccc(-c4ccccc4)cc2)c2cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c2)cc1C3(C)C
InChIInChI=1S/C62H49NO/c1-60(2,3)55-29-17-26-50-52-38-51-49-35-34-46(37-56(49)61(4,5)57(51)39-58(52)64-59(50)55)63(44-32-30-41(31-33-44)40-18-8-6-9-19-40)45-23-16-22-43(36-45)62(42-20-10-7-11-21-42)53-27-14-12-24-47(53)48-25-13-15-28-54(48)62/h6-39H,1-5H3
InChIKeyJZIJRZXOHBQODX-UHFFFAOYSA-N
MW824.08 g/mol
LogP16.69
Rot. Bonds6

About 4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine

4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine (PubChem CID 176821768) has the molecular formula C62H49NO and a molecular weight of 824.08 g/mol. Its IUPAC name is 4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
PubChem CID176821768
Molecular FormulaC62H49NO
Molecular Weight824.08 g/mol
Exact Mass823.38
IUPAC Name4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
SMILESCC(C)(C)c1cccc2c1oc1cc3c(cc12)-c1ccc(N(c2ccc(-c4ccccc4)cc2)c2cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c2)cc1C3(C)C
InChIInChI=1S/C62H49NO/c1-60(2,3)55-29-17-26-50-52-38-51-49-35-34-46(37-56(49)61(4,5)57(51)39-58(52)64-59(50)55)63(44-32-30-41(31-33-44)40-18-8-6-9-19-40)45-23-16-22-43(36-45)62(42-20-10-7-11-21-42)53-27-14-12-24-47(53)48-25-13-15-28-54(48)62/h6-39H,1-5H3
InChIKeyJZIJRZXOHBQODX-UHFFFAOYSA-N
XLogP16.69
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.08
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821917
4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine
CID 176822047
2-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821926
2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine
CID 176821721
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158851525
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839605
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
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
N-(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163926045
9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 139384269
7-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 121424802

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine?
The IUPAC name of 4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine (CID 176821768) is 4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine.
What is the SMILES notation for 4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine?
The canonical SMILES for 4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine is CC(C)(C)c1cccc2c1oc1cc3c(cc12)-c1ccc(N(c2ccc(-c4ccccc4)cc2)c2cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c2)cc1C3(C)C.
What is the InChIKey of 4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine?
The InChIKey is JZIJRZXOHBQODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49NO/c1-60(2,3)55-29-17-26-50-52-38-51-49-35-34-46(37-56(49)61(4,5)57(51)39-58(52)64-59(50)55)63(44-32-30-41(31-33-44)40-18-8-6-9-19-40)45-23-16-22-43(36-45)62(42-20-10-7-11-21-42)53-27-14-12-24-47(53)48-25-13-15-28-54(48)62/h6-39H,1-5H3.
What are the key properties of 4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine?
4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine has a molecular weight of 824.08 g/mol, XLogP of 16.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine is sourced from PubChem (CID 176821768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).