8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine

C53H49NO — CID 176821725

IUPAC8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3c4c(ccc3c2c1)-c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)ccc1C4(C)C
InChIInChI=1S/C53H49NO/c1-51(2,3)38-31-45-43-29-28-42-44-33-41(27-30-46(44)53(7,8)48(42)50(43)55-49(45)47(32-38)52(4,5)6)54(39-23-19-36(20-24-39)34-15-11-9-12-16-34)40-25-21-37(22-26-40)35-17-13-10-14-18-35/h9-33H,1-8H3
InChIKeyMYQUMDBLKYFXKJ-UHFFFAOYSA-N
MW715.98 g/mol
LogP15.29
Rot. Bonds5

About 8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine

8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine (PubChem CID 176821725) has the molecular formula C53H49NO and a molecular weight of 715.98 g/mol. Its IUPAC name is 8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine.

Molecular Properties

Compound Name8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine
PubChem CID176821725
Molecular FormulaC53H49NO
Molecular Weight715.98 g/mol
Exact Mass715.38
IUPAC Name8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3c4c(ccc3c2c1)-c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)ccc1C4(C)C
InChIInChI=1S/C53H49NO/c1-51(2,3)38-31-45-43-29-28-42-44-33-41(27-30-46(44)53(7,8)48(42)50(43)55-49(45)47(32-38)52(4,5)6)54(39-23-19-36(20-24-39)34-15-11-9-12-16-34)40-25-21-37(22-26-40)35-17-13-10-14-18-35/h9-33H,1-8H3
InChIKeyMYQUMDBLKYFXKJ-UHFFFAOYSA-N
XLogP15.29
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.98
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine with MolForge

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Related Compounds

8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine
CID 176821813
8-tert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
CID 176821836
5,7-ditert-butyl-N-(9,9-dimethylfluoren-2-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-18-amine
CID 176821887
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 176751175
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
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine
CID 163434632
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
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 166464490
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline
CID 134392974
6,8-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 176751170
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-amine
CID 176751207
2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine
CID 176821721

Frequently Asked Questions

What is the IUPAC name of 8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine?
The IUPAC name of 8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine (CID 176821725) is 8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine.
What is the SMILES notation for 8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine?
The canonical SMILES for 8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine is CC(C)(C)c1cc(C(C)(C)C)c2oc3c4c(ccc3c2c1)-c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)ccc1C4(C)C.
What is the InChIKey of 8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine?
The InChIKey is MYQUMDBLKYFXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H49NO/c1-51(2,3)38-31-45-43-29-28-42-44-33-41(27-30-46(44)53(7,8)48(42)50(43)55-49(45)47(32-38)52(4,5)6)54(39-23-19-36(20-24-39)34-15-11-9-12-16-34)40-25-21-37(22-26-40)35-17-13-10-14-18-35/h9-33H,1-8H3.
What are the key properties of 8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine?
8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine has a molecular weight of 715.98 g/mol, XLogP of 15.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-ditert-butyl-12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine is sourced from PubChem (CID 176821725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).