1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine

C49H39NO2 — CID 176821907

IUPAC1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine
SMILESCC(C)(C)c1cccc2c1oc1c3c(ccc12)C(C)(C)c1cccc(N(c2ccc(-c4ccccc4)cc2)c2ccc4c(c2)oc2ccccc24)c1-3
InChIInChI=1S/C49H39NO2/c1-48(2,3)40-18-11-16-36-37-27-28-39-45(47(37)52-46(36)40)44-38(49(39,4)5)17-12-19-41(44)50(32-23-21-31(22-24-32)30-13-7-6-8-14-30)33-25-26-35-34-15-9-10-20-42(34)51-43(35)29-33/h6-29H,1-5H3
InChIKeyMGNSTQHIURJUQJ-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.23
Rot. Bonds4

About 1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine

1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine (PubChem CID 176821907) has the molecular formula C49H39NO2 and a molecular weight of 673.86 g/mol. Its IUPAC name is 1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine.

Molecular Properties

Compound Name1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine
PubChem CID176821907
Molecular FormulaC49H39NO2
Molecular Weight673.86 g/mol
Exact Mass673.30
IUPAC Name1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine
SMILESCC(C)(C)c1cccc2c1oc1c3c(ccc12)C(C)(C)c1cccc(N(c2ccc(-c4ccccc4)cc2)c2ccc4c(c2)oc2ccccc24)c1-3
InChIInChI=1S/C49H39NO2/c1-48(2,3)40-18-11-16-36-37-27-28-39-45(47(37)52-46(36)40)44-38(49(39,4)5)17-12-19-41(44)50(32-23-21-31(22-24-32)30-13-7-6-8-14-30)33-25-26-35-34-15-9-10-20-42(34)51-43(35)29-33/h6-29H,1-5H3
InChIKeyMGNSTQHIURJUQJ-UHFFFAOYSA-N
XLogP14.23
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
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-19-amine
CID 176821941
N-(2-tert-butyl-4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781201
N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781185
5-tert-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-19-amine
CID 176822011
3-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-11-amine
CID 176821802
8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine
CID 176821813
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 118405235
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751186
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 161445585
2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176781189

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine?
The IUPAC name of 1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine (CID 176821907) is 1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine.
What is the SMILES notation for 1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine?
The canonical SMILES for 1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine is CC(C)(C)c1cccc2c1oc1c3c(ccc12)C(C)(C)c1cccc(N(c2ccc(-c4ccccc4)cc2)c2ccc4c(c2)oc2ccccc24)c1-3.
What is the InChIKey of 1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine?
The InChIKey is MGNSTQHIURJUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39NO2/c1-48(2,3)40-18-11-16-36-37-27-28-39-45(47(37)52-46(36)40)44-38(49(39,4)5)17-12-19-41(44)50(32-23-21-31(22-24-32)30-13-7-6-8-14-30)33-25-26-35-34-15-9-10-20-42(34)51-43(35)29-33/h6-29H,1-5H3.
What are the key properties of 1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine?
1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine has a molecular weight of 673.86 g/mol, XLogP of 14.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine is sourced from PubChem (CID 176821907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).