N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine

C56H41NO — CID 177281265

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4oc5ccccc5c4c3-c3ccc4ccc5ccccc5c4c3)cc21
InChIInChI=1S/C56H41NO/c1-55(2)46-18-10-7-15-40(46)42-27-25-37(32-48(42)55)57(38-26-28-43-41-16-8-11-19-47(41)56(3,4)49(43)33-38)50-29-30-52-54(44-17-9-12-20-51(44)58-52)53(50)36-24-23-35-22-21-34-13-5-6-14-39(34)45(35)31-36/h5-33H,1-4H3
InChIKeyPCTGBDVXGKICBF-UHFFFAOYSA-N
MW743.95 g/mol
LogP15.64
Rot. Bonds4

About N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine (PubChem CID 177281265) has the molecular formula C56H41NO and a molecular weight of 743.95 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine
PubChem CID177281265
Molecular FormulaC56H41NO
Molecular Weight743.95 g/mol
Exact Mass743.32
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4oc5ccccc5c4c3-c3ccc4ccc5ccccc5c4c3)cc21
InChIInChI=1S/C56H41NO/c1-55(2)46-18-10-7-15-40(46)42-27-25-37(32-48(42)55)57(38-26-28-43-41-16-8-11-19-47(41)56(3,4)49(43)33-38)50-29-30-52-54(44-17-9-12-20-51(44)58-52)53(50)36-24-23-35-22-21-34-13-5-6-14-39(34)45(35)31-36/h5-33H,1-4H3
InChIKeyPCTGBDVXGKICBF-UHFFFAOYSA-N
XLogP15.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.95
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281250
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-2-amine
CID 177280648
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)-1-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177280924
N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170674918
1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 177294550
N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine
CID 177281213
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280769
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-triphenylen-2-yldibenzofuran-2-amine
CID 177281181
N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 177281319
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280624
N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-1-naphthalen-1-yldibenzofuran-2-amine
CID 177280868

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine (CID 177281265) is N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4oc5ccccc5c4c3-c3ccc4ccc5ccccc5c4c3)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine?
The InChIKey is PCTGBDVXGKICBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41NO/c1-55(2)46-18-10-7-15-40(46)42-27-25-37(32-48(42)55)57(38-26-28-43-41-16-8-11-19-47(41)56(3,4)49(43)33-38)50-29-30-52-54(44-17-9-12-20-51(44)58-52)53(50)36-24-23-35-22-21-34-13-5-6-14-39(34)45(35)31-36/h5-33H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine has a molecular weight of 743.95 g/mol, XLogP of 15.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine is sourced from PubChem (CID 177281265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).