4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine

C62H49NO — CID 176822047

IUPAC4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine
SMILESCC(C)(C)c1cccc2c1oc1ccc3c(c12)C(C)(C)c1cc(N(c2ccc(-c4ccccc4)cc2)c2cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c2)ccc1-3
InChIInChI=1S/C62H49NO/c1-60(2,3)54-29-17-26-51-57-56(64-59(51)54)37-36-50-49-35-34-46(39-55(49)61(4,5)58(50)57)63(44-32-30-41(31-33-44)40-18-8-6-9-19-40)45-23-16-22-43(38-45)62(42-20-10-7-11-21-42)52-27-14-12-24-47(52)48-25-13-15-28-53(48)62/h6-39H,1-5H3
InChIKeyJGHAJAQLHMGWOW-UHFFFAOYSA-N
MW824.08 g/mol
LogP16.69
Rot. Bonds6

About 4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine

4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine (PubChem CID 176822047) has the molecular formula C62H49NO and a molecular weight of 824.08 g/mol. Its IUPAC name is 4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound Name4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine
PubChem CID176822047
Molecular FormulaC62H49NO
Molecular Weight824.08 g/mol
Exact Mass823.38
IUPAC Name4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine
SMILESCC(C)(C)c1cccc2c1oc1ccc3c(c12)C(C)(C)c1cc(N(c2ccc(-c4ccccc4)cc2)c2cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c2)ccc1-3
InChIInChI=1S/C62H49NO/c1-60(2,3)54-29-17-26-51-57-56(64-59(51)54)37-36-50-49-35-34-46(39-55(49)61(4,5)58(50)57)63(44-32-30-41(31-33-44)40-18-8-6-9-19-40)45-23-16-22-43(38-45)62(42-20-10-7-11-21-42)52-27-14-12-24-47(52)48-25-13-15-28-53(48)62/h6-39H,1-5H3
InChIKeyJGHAJAQLHMGWOW-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-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821768
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-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran-11-amine
CID 176821731
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 139384269
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
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-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
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
8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
CID 176821836
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839605
N-(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163926045

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine?
The IUPAC name of 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) is 4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for 4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for 4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine is CC(C)(C)c1cccc2c1oc1ccc3c(c12)C(C)(C)c1cc(N(c2ccc(-c4ccccc4)cc2)c2cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c2)ccc1-3.
What is the InChIKey of 4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine?
The InChIKey is JGHAJAQLHMGWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49NO/c1-60(2,3)54-29-17-26-51-57-56(64-59(51)54)37-36-50-49-35-34-46(39-55(49)61(4,5)58(50)57)63(44-32-30-41(31-33-44)40-18-8-6-9-19-40)45-23-16-22-43(38-45)62(42-20-10-7-11-21-42)52-27-14-12-24-47(52)48-25-13-15-28-53(48)62/h6-39H,1-5H3.
What are the key properties of 4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine?
4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-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-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 176822047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).