N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine

C51H45NO2 — CID 176751116

IUPACN-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1)oc1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4oc5c6ccccc6ccc5c34)ccc12
InChIInChI=1S/C51H45NO2/c1-49(2,3)31-26-41(50(4,5)6)46-37-25-22-33(29-44(37)53-45(46)27-31)52(32-21-24-36-35-16-11-12-17-39(35)51(7,8)40(36)28-32)42-18-13-19-43-47(42)38-23-20-30-14-9-10-15-34(30)48(38)54-43/h9-29H,1-8H3
InChIKeyRMJZAZPUZBGFGH-UHFFFAOYSA-N
MW703.93 g/mol
LogP15.01
Rot. Bonds3

About N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine

N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 176751116) has the molecular formula C51H45NO2 and a molecular weight of 703.93 g/mol. Its IUPAC name is N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID176751116
Molecular FormulaC51H45NO2
Molecular Weight703.93 g/mol
Exact Mass703.35
IUPAC NameN-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2c(c1)oc1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4oc5c6ccccc6ccc5c34)ccc12
InChIInChI=1S/C51H45NO2/c1-49(2,3)31-26-41(50(4,5)6)46-37-25-22-33(29-44(37)53-45(46)27-31)52(32-21-24-36-35-16-11-12-17-39(35)51(7,8)40(36)28-32)42-18-13-19-43-47(42)38-23-20-30-14-9-10-15-34(30)48(38)54-43/h9-29H,1-8H3
InChIKeyRMJZAZPUZBGFGH-UHFFFAOYSA-N
XLogP15.01
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.93
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,9-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 176751052
7,9-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751204
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
9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 174312490
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751186
6,8-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 176751242
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121496
N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170674918
6,8-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751216
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzofuran-1-amine
CID 177121656
N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681

Frequently Asked Questions

What is the IUPAC name of N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine (CID 176751116) is N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine is CC(C)(C)c1cc(C(C)(C)C)c2c(c1)oc1cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4oc5c6ccccc6ccc5c34)ccc12.
What is the InChIKey of N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is RMJZAZPUZBGFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45NO2/c1-49(2,3)31-26-41(50(4,5)6)46-37-25-22-33(29-44(37)53-45(46)27-31)52(32-21-24-36-35-16-11-12-17-39(35)51(7,8)40(36)28-32)42-18-13-19-43-47(42)38-23-20-30-14-9-10-15-34(30)48(38)54-43/h9-29H,1-8H3.
What are the key properties of N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 703.93 g/mol, XLogP of 15.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,9-ditert-butyldibenzofuran-3-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 176751116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).