7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine

C60H53NO — CID 176751030

IUPAC7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1)oc1ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc12
InChIInChI=1S/C60H53NO/c1-57(2,3)40-34-53(58(4,5)6)56-48-36-42(31-33-54(48)62-55(56)35-40)61(43-30-32-47-44-20-12-15-23-49(44)59(7,8)52(47)37-43)41-28-26-39(27-29-41)60(38-18-10-9-11-19-38)50-24-16-13-21-45(50)46-22-14-17-25-51(46)60/h9-37H,1-8H3
InChIKeyCPGJQCNPHPIINY-UHFFFAOYSA-N
MW804.09 g/mol
LogP16.32
Rot. Bonds5

About 7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine

7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine (PubChem CID 176751030) has the molecular formula C60H53NO and a molecular weight of 804.09 g/mol. Its IUPAC name is 7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound Name7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
PubChem CID176751030
Molecular FormulaC60H53NO
Molecular Weight804.09 g/mol
Exact Mass803.41
IUPAC Name7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1)oc1ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc12
InChIInChI=1S/C60H53NO/c1-57(2,3)40-34-53(58(4,5)6)56-48-36-42(31-33-54(48)62-55(56)35-40)61(43-30-32-47-44-20-12-15-23-49(44)59(7,8)52(47)37-43)41-28-26-39(27-29-41)60(38-18-10-9-11-19-38)50-24-16-13-21-45(50)46-22-14-17-25-51(46)60/h9-37H,1-8H3
InChIKeyCPGJQCNPHPIINY-UHFFFAOYSA-N
XLogP16.32
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.09
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine with MolForge

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Related Compounds

9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312877
7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751204
N-(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163926045
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
7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 176751052
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
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine
CID 140919912
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159318971
6,8-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-1-amine
CID 177067734
N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine
CID 163494653

Frequently Asked Questions

What is the IUPAC name of 7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine?
The IUPAC name of 7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine (CID 176751030) is 7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for 7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for 7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine is CC(C)(C)c1cc(C(C)(C)C)c2c(c1)oc1ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc12.
What is the InChIKey of 7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine?
The InChIKey is CPGJQCNPHPIINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H53NO/c1-57(2,3)40-34-53(58(4,5)6)56-48-36-42(31-33-54(48)62-55(56)35-40)61(43-30-32-47-44-20-12-15-23-49(44)59(7,8)52(47)37-43)41-28-26-39(27-29-41)60(38-18-10-9-11-19-38)50-24-16-13-21-45(50)46-22-14-17-25-51(46)60/h9-37H,1-8H3.
What are the key properties of 7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine?
7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 804.09 g/mol, XLogP of 16.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 176751030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).