N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine

C53H37NO — CID 169039659

IUPACN-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccc(N(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3cccc4c3oc3ccccc34)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C53H37NO/c1-53(2)45-32-31-36(33-44(45)50-37(26-15-28-46(50)53)34-17-5-3-6-18-34)54(47-29-16-27-43-38-21-13-14-30-48(38)55-52(43)47)51-41-24-11-9-22-39(41)49(35-19-7-4-8-20-35)40-23-10-12-25-42(40)51/h3-33H,1-2H3
InChIKeyWAYORAPKHQEUJI-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.00
Rot. Bonds5

About N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine

N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine (PubChem CID 169039659) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine
PubChem CID169039659
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccc(N(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3cccc4c3oc3ccccc34)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C53H37NO/c1-53(2)45-32-31-36(33-44(45)50-37(26-15-28-46(50)53)34-17-5-3-6-18-34)54(47-29-16-27-43-38-21-13-14-30-48(38)55-52(43)47)51-41-24-11-9-22-39(41)49(35-19-7-4-8-20-35)40-23-10-12-25-42(40)51/h3-33H,1-2H3
InChIKeyWAYORAPKHQEUJI-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzofuran-10-amine
CID 118405343
N-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 118405235

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine?
The IUPAC name of N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine (CID 169039659) is N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine is CC1(C)c2ccc(N(c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3cccc4c3oc3ccccc34)cc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine?
The InChIKey is WAYORAPKHQEUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)45-32-31-36(33-44(45)50-37(26-15-28-46(50)53)34-17-5-3-6-18-34)54(47-29-16-27-43-38-21-13-14-30-48(38)55-52(43)47)51-41-24-11-9-22-39(41)49(35-19-7-4-8-20-35)40-23-10-12-25-42(40)51/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine?
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine has a molecular weight of 703.89 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(10-phenylanthracen-9-yl)dibenzofuran-4-amine is sourced from PubChem (CID 169039659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).