1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine

C49H39NO2 — CID 176821901

IUPAC1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine
SMILESCC(C)(C)c1cccc2oc3cc4c(cc3c12)C(C)(C)c1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc5ccccc5c23)ccc1-4
InChIInChI=1S/C49H39NO2/c1-48(2,3)38-16-11-19-43-46(38)37-28-40-36(29-45(37)52-43)34-26-25-33(27-39(34)49(40,4)5)50(32-23-21-31(22-24-32)30-13-7-6-8-14-30)41-17-12-20-44-47(41)35-15-9-10-18-42(35)51-44/h6-29H,1-5H3
InChIKeyQTRHHIFJBWOXET-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.23
Rot. Bonds4

About 1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine

1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine (PubChem CID 176821901) has the molecular formula C49H39NO2 and a molecular weight of 673.86 g/mol. Its IUPAC name is 1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine
PubChem CID176821901
Molecular FormulaC49H39NO2
Molecular Weight673.86 g/mol
Exact Mass673.30
IUPAC Name1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine
SMILESCC(C)(C)c1cccc2oc3cc4c(cc3c12)C(C)(C)c1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc5ccccc5c23)ccc1-4
InChIInChI=1S/C49H39NO2/c1-48(2,3)38-16-11-19-43-46(38)37-28-40-36(29-45(37)52-43)34-26-25-33(27-39(34)49(40,4)5)50(32-23-21-31(22-24-32)30-13-7-6-8-14-30)41-17-12-20-44-47(41)35-15-9-10-18-42(35)51-44/h6-29H,1-5H3
InChIKeyQTRHHIFJBWOXET-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-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393185
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
5,7-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
9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312877
7,7-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393175
4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821917
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-(9,9-dimethylfluoren-2-yl)-N,15-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050058
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 139504762

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine?
The IUPAC name of 1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine (CID 176821901) is 1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine.
What is the SMILES notation for 1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine?
The canonical SMILES for 1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine is CC(C)(C)c1cccc2oc3cc4c(cc3c12)C(C)(C)c1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc5ccccc5c23)ccc1-4.
What is the InChIKey of 1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine?
The InChIKey is QTRHHIFJBWOXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39NO2/c1-48(2,3)38-16-11-19-43-46(38)37-28-40-36(29-45(37)52-43)34-26-25-33(27-39(34)49(40,4)5)50(32-23-21-31(22-24-32)30-13-7-6-8-14-30)41-17-12-20-44-47(41)35-15-9-10-18-42(35)51-44/h6-29H,1-5H3.
What are the key properties of 1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine?
1-tert-butyl-N-dibenzofuran-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-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-1-yl-11,11-dimethyl-N-(4-phenylphenyl)fluoreno[3,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 176821901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).