N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine

C49H47NO — CID 174312493

IUPACN-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine
SMILESCC(C)c1cccc2c1oc1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)cc12
InChIInChI=1S/C49H47NO/c1-29(2)34-14-12-15-39-40-26-31(20-24-45(40)51-46(34)39)50(32-18-22-37-35-13-10-11-16-41(35)48(6,7)43(37)27-32)33-19-23-38-36-21-17-30(47(3,4)5)25-42(36)49(8,9)44(38)28-33/h10-29H,1-9H3
InChIKeyYKKDBLPMSSJZAL-UHFFFAOYSA-N
MW665.92 g/mol
LogP14.09
Rot. Bonds4

About N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine

N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine (PubChem CID 174312493) has the molecular formula C49H47NO and a molecular weight of 665.92 g/mol. Its IUPAC name is N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine
PubChem CID174312493
Molecular FormulaC49H47NO
Molecular Weight665.92 g/mol
Exact Mass665.37
IUPAC NameN-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine
SMILESCC(C)c1cccc2c1oc1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)cc12
InChIInChI=1S/C49H47NO/c1-29(2)34-14-12-15-39-40-26-31(20-24-45(40)51-46(34)39)50(32-18-22-37-35-13-10-11-16-41(35)48(6,7)43(37)27-32)33-19-23-38-36-21-17-30(47(3,4)5)25-42(36)49(8,9)44(38)28-33/h10-29H,1-9H3
InChIKeyYKKDBLPMSSJZAL-UHFFFAOYSA-N
XLogP14.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.92
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-tert-butyl-N-[5-tert-butyl-2-(6-propan-2-yldibenzofuran-4-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315841
4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-7,9-di(propan-2-yl)dibenzofuran-2-amine
CID 174312671
4-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312572
N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 149287713
8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 174314035
9-tert-butyl-N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 174312490
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
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 176751163
9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312877
N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295634
8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
CID 176821836
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705

Frequently Asked Questions

What is the IUPAC name of N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine?
The IUPAC name of N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine (CID 174312493) is N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine.
What is the SMILES notation for N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine?
The canonical SMILES for N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine is CC(C)c1cccc2c1oc1ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)cc12.
What is the InChIKey of N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine?
The InChIKey is YKKDBLPMSSJZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H47NO/c1-29(2)34-14-12-15-39-40-26-31(20-24-45(40)51-46(34)39)50(32-18-22-37-35-13-10-11-16-41(35)48(6,7)43(37)27-32)33-19-23-38-36-21-17-30(47(3,4)5)25-42(36)49(8,9)44(38)28-33/h10-29H,1-9H3.
What are the key properties of N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine?
N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine has a molecular weight of 665.92 g/mol, XLogP of 14.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine is sourced from PubChem (CID 174312493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).