N-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C49H41NO — CID 166800485

IUPACN-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESCCc1ccccc1-c1ccc2oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc3c2c1CC
InChIInChI=1S/C49H41NO/c1-5-32-14-10-11-17-39(32)40-28-29-46-48(38(40)6-2)43-27-25-37(31-47(43)51-46)50(35-22-20-34(21-23-35)33-15-8-7-9-16-33)36-24-26-42-41-18-12-13-19-44(41)49(3,4)45(42)30-36/h7-31H,5-6H2,1-4H3
InChIKeyOWNGBWQTUJNUPV-UHFFFAOYSA-N
MW659.87 g/mol
LogP13.82
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 166800485) has the molecular formula C49H41NO and a molecular weight of 659.87 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID166800485
Molecular FormulaC49H41NO
Molecular Weight659.87 g/mol
Exact Mass659.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESCCc1ccccc1-c1ccc2oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc3c2c1CC
InChIInChI=1S/C49H41NO/c1-5-32-14-10-11-17-39(32)40-28-29-46-48(38(40)6-2)43-27-25-37(31-47(43)51-46)50(35-22-20-34(21-23-35)33-15-8-7-9-16-33)36-24-26-42-41-18-12-13-19-44(41)49(3,4)45(42)30-36/h7-31H,5-6H2,1-4H3
InChIKeyOWNGBWQTUJNUPV-UHFFFAOYSA-N
XLogP13.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.87
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-[3-ethyl-4-(2-ethylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156525007
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170722783
7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303315
N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-[4-(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-6-amine
CID 171050022
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
9,9-dimethyl-N-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 168807283
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167121601
9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170667922
7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-2-amine
CID 158550315
N-(9,9-dimethylfluoren-2-yl)-17-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine
CID 171050430

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 166800485) is N-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine is CCc1ccccc1-c1ccc2oc3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc3c2c1CC.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is OWNGBWQTUJNUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41NO/c1-5-32-14-10-11-17-39(32)40-28-29-46-48(38(40)6-2)43-27-25-37(31-47(43)51-46)50(35-22-20-34(21-23-35)33-15-8-7-9-16-33)36-24-26-42-41-18-12-13-19-44(41)49(3,4)45(42)30-36/h7-31H,5-6H2,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 659.87 g/mol, XLogP of 13.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-ethyl-8-(2-ethylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 166800485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).