2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine

C56H51NO2 — CID 176821684

IUPAC2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3ccc4c(c3c2c1)C(C)(C)c1cccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3oc5ccccc5c3c2)c1-4
InChIInChI=1S/C56H51NO2/c1-53(2,3)32-28-40-50-48(59-52(40)44(29-32)54(4,5)6)27-25-38-49-42(56(9,10)51(38)50)19-15-20-45(49)57(33-23-26-47-39(30-33)37-17-12-14-21-46(37)58-47)34-22-24-36-35-16-11-13-18-41(35)55(7,8)43(36)31-34/h11-31H,1-10H3
InChIKeyYPNXFAOFPPNBCA-UHFFFAOYSA-N
MW770.03 g/mol
LogP16.16
Rot. Bonds3

About 2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine

2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine (PubChem CID 176821684) has the molecular formula C56H51NO2 and a molecular weight of 770.03 g/mol. Its IUPAC name is 2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine
PubChem CID176821684
Molecular FormulaC56H51NO2
Molecular Weight770.03 g/mol
Exact Mass769.39
IUPAC Name2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3ccc4c(c3c2c1)C(C)(C)c1cccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3oc5ccccc5c3c2)c1-4
InChIInChI=1S/C56H51NO2/c1-53(2,3)32-28-40-50-48(59-52(40)44(29-32)54(4,5)6)27-25-38-49-42(56(9,10)51(38)50)19-15-20-45(49)57(33-23-26-47-39(30-33)37-17-12-14-21-46(37)58-47)34-22-24-36-35-16-11-13-18-41(35)55(7,8)43(36)31-34/h11-31H,1-10H3
InChIKeyYPNXFAOFPPNBCA-UHFFFAOYSA-N
XLogP16.16
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.03
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine with MolForge

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Related Compounds

6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 176751163
6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751170
2,4-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-11-amine
CID 176821650
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751186
6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751216
6,8-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751144
2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
CID 176821830
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751207
7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751204
4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312572
N-[2-(5,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-2-amine
CID 170144220
5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-17-amine
CID 176821663

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine?
The IUPAC name of 2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine (CID 176821684) is 2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for 2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for 2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine is CC(C)(C)c1cc(C(C)(C)C)c2oc3ccc4c(c3c2c1)C(C)(C)c1cccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3oc5ccccc5c3c2)c1-4.
What is the InChIKey of 2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine?
The InChIKey is YPNXFAOFPPNBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H51NO2/c1-53(2,3)32-28-40-50-48(59-52(40)44(29-32)54(4,5)6)27-25-38-49-42(56(9,10)51(38)50)19-15-20-45(49)57(33-23-26-47-39(30-33)37-17-12-14-21-46(37)58-47)34-22-24-36-35-16-11-13-18-41(35)55(7,8)43(36)31-34/h11-31H,1-10H3.
What are the key properties of 2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine?
2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine has a molecular weight of 770.03 g/mol, XLogP of 16.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 176821684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).