N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine

C65H59NO — CID 176987223

IUPACN-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
SMILESCC(C)(C)c1cc(-c2cccc3c2oc2c(-c4ccc(-c5ccccc5)cc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)C4C=CC=CC54)cccc23)cc(C(C)(C)C)c1
InChIInChI=1S/C65H59NO/c1-63(2,3)47-37-46(38-48(40-47)64(4,5)6)51-24-17-26-56-57-27-18-25-55(62(57)67-61(51)56)54-35-31-45(43-21-13-10-14-22-43)39-60(54)66(49-32-29-44(30-33-49)42-19-11-9-12-20-42)50-34-36-53-52-23-15-16-28-58(52)65(7,8)59(53)41-50/h9-41,52,58H,1-8H3
InChIKeyMIADTWXIANTCRM-UHFFFAOYSA-N
MW870.19 g/mol
LogP18.44
Rot. Bonds7

About N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine

N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine (PubChem CID 176987223) has the molecular formula C65H59NO and a molecular weight of 870.19 g/mol. Its IUPAC name is N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
PubChem CID176987223
Molecular FormulaC65H59NO
Molecular Weight870.19 g/mol
Exact Mass869.46
IUPAC NameN-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
SMILESCC(C)(C)c1cc(-c2cccc3c2oc2c(-c4ccc(-c5ccccc5)cc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)C4C=CC=CC54)cccc23)cc(C(C)(C)C)c1
InChIInChI=1S/C65H59NO/c1-63(2,3)47-37-46(38-48(40-47)64(4,5)6)51-24-17-26-56-57-27-18-25-55(62(57)67-61(51)56)54-35-31-45(43-21-13-10-14-22-43)39-60(54)66(49-32-29-44(30-33-49)42-19-11-9-12-20-42)50-34-36-53-52-23-15-16-28-58(52)65(7,8)59(53)41-50/h9-41,52,58H,1-8H3
InChIKeyMIADTWXIANTCRM-UHFFFAOYSA-N
XLogP18.44
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.19
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine with MolForge

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Related Compounds

N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155440877
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166820061
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 145141242
N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 167143301
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 142481358
9,9-dimethyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-3-amine
CID 170424688
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-dimethyl-4b,8a-dihydrofluoren-4-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)aniline
CID 170303551
N-[2-[4-(3,5-ditert-butylphenyl)phenyl]-5-phenylphenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 164529126
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144181
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine
CID 153201298
2-N-[4-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-6-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89152127
8-dibenzofuran-4-yl-6,6,12,12-tetramethyl-N,N-bis[4-(4-phenylphenyl)phenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-2-amine
CID 122677109

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine?
The IUPAC name of N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine (CID 176987223) is N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine.
What is the SMILES notation for N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine?
The canonical SMILES for N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine is CC(C)(C)c1cc(-c2cccc3c2oc2c(-c4ccc(-c5ccccc5)cc4N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)C4C=CC=CC54)cccc23)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine?
The InChIKey is MIADTWXIANTCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H59NO/c1-63(2,3)47-37-46(38-48(40-47)64(4,5)6)51-24-17-26-56-57-27-18-25-55(62(57)67-61(51)56)54-35-31-45(43-21-13-10-14-22-43)39-60(54)66(49-32-29-44(30-33-49)42-19-11-9-12-20-42)50-34-36-53-52-23-15-16-28-58(52)65(7,8)59(53)41-50/h9-41,52,58H,1-8H3.
What are the key properties of N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine?
N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine has a molecular weight of 870.19 g/mol, XLogP of 18.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine is sourced from PubChem (CID 176987223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).