4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine

C52H45NO — CID 176821917

IUPAC4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
SMILESCC(C)(C)c1cccc2c1oc1cc3c(cc12)-c1ccc(N(c2ccc(-c4ccccc4)cc2)c2ccc4c(c2)C(C)(C)c2ccccc2-4)cc1C3(C)C
InChIInChI=1S/C52H45NO/c1-50(2,3)44-19-13-17-40-42-30-41-39-27-25-36(29-46(39)52(6,7)47(41)31-48(42)54-49(40)44)53(34-22-20-33(21-23-34)32-14-9-8-10-15-32)35-24-26-38-37-16-11-12-18-43(37)51(4,5)45(38)28-35/h8-31H,1-7H3
InChIKeyBPAFTBCDUMLPDC-UHFFFAOYSA-N
MW699.94 g/mol
LogP14.63
Rot. Bonds4

About 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine

4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine (PubChem CID 176821917) has the molecular formula C52H45NO and a molecular weight of 699.94 g/mol. Its IUPAC name is 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
PubChem CID176821917
Molecular FormulaC52H45NO
Molecular Weight699.94 g/mol
Exact Mass699.35
IUPAC Name4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
SMILESCC(C)(C)c1cccc2c1oc1cc3c(cc12)-c1ccc(N(c2ccc(-c4ccccc4)cc2)c2ccc4c(c2)C(C)(C)c2ccccc2-4)cc1C3(C)C
InChIInChI=1S/C52H45NO/c1-50(2,3)44-19-13-17-40-42-30-41-39-27-25-36(29-46(39)52(6,7)47(41)31-48(42)54-49(40)44)53(34-22-20-33(21-23-34)32-14-9-8-10-15-32)35-24-26-38-37-16-11-12-18-43(37)51(4,5)45(38)28-35/h8-31H,1-7H3
InChIKeyBPAFTBCDUMLPDC-UHFFFAOYSA-N
XLogP14.63
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.94
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-7,7-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 176821768
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167144127
7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine
CID 158550315
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169022159
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
5-tert-butyl-N-[2-(6-tert-butyldibenzofuran-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315361
4-tert-butyl-12,12-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)fluoreno[2,1-b][1]benzofuran-10-amine
CID 176822047
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
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
N-(9,9-dimethylfluoren-2-yl)-18-phenyl-N-[2-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-amine
CID 171050332

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine?
The IUPAC name of 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) is 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine.
What is the SMILES notation for 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine?
The canonical SMILES for 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine is CC(C)(C)c1cccc2c1oc1cc3c(cc12)-c1ccc(N(c2ccc(-c4ccccc4)cc2)c2ccc4c(c2)C(C)(C)c2ccccc2-4)cc1C3(C)C.
What is the InChIKey of 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine?
The InChIKey is BPAFTBCDUMLPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H45NO/c1-50(2,3)44-19-13-17-40-42-30-41-39-27-25-36(29-46(39)52(6,7)47(41)31-48(42)54-49(40)44)53(34-22-20-33(21-23-34)32-14-9-8-10-15-32)35-24-26-38-37-16-11-12-18-43(37)51(4,5)45(38)28-35/h8-31H,1-7H3.
What are the key properties of 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine?
4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine has a molecular weight of 699.94 g/mol, XLogP of 14.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine is sourced from PubChem (CID 176821917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).