N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine

C53H37NO — CID 177281319

IUPACN-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3-c3cccc4ccccc34)cc21
InChIInChI=1S/C53H37NO/c1-53(2)45-23-10-7-20-41(45)42-29-28-38(33-46(42)53)54(47-24-11-8-19-40(47)37-27-26-34-14-3-4-16-36(34)32-37)48-30-31-50-52(44-21-9-12-25-49(44)55-50)51(48)43-22-13-17-35-15-5-6-18-39(35)43/h3-33H,1-2H3
InChIKeyZCNYJAXAUVTARU-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.00
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine

N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine (PubChem CID 177281319) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine
PubChem CID177281319
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3-c3cccc4ccccc34)cc21
InChIInChI=1S/C53H37NO/c1-53(2)45-23-10-7-20-41(45)42-29-28-38(33-46(42)53)54(47-24-11-8-19-40(47)37-27-26-34-14-3-4-16-36(34)32-37)48-30-31-50-52(44-21-9-12-25-49(44)55-50)51(48)43-22-13-17-35-15-5-6-18-39(35)43/h3-33H,1-2H3
InChIKeyZCNYJAXAUVTARU-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

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Related Compounds

N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine
CID 177281538
N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-1-naphthalen-1-yldibenzofuran-2-amine
CID 177280868
N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
CID 177280598
N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281265
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[2-(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]fluoren-2-amine
CID 167121566
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 161066288
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 164774109
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280769
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-6-naphthalen-2-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170535984
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-2-amine
CID 177280648
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 170535955

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine (CID 177281319) is N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3ccc4oc5ccccc5c4c3-c3cccc4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
The InChIKey is ZCNYJAXAUVTARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)45-23-10-7-20-41(45)42-29-28-38(33-46(42)53)54(47-24-11-8-19-40(47)37-27-26-34-14-3-4-16-36(34)32-37)48-30-31-50-52(44-21-9-12-25-49(44)55-50)51(48)43-22-13-17-35-15-5-6-18-39(35)43/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine?
N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-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-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177281319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).