N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine

C59H39NO2 — CID 177274937

IUPACN-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4ccc5oc6ccccc6c5c4)c3-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C59H39NO2/c1-59(2)51-22-10-7-18-44(51)45-29-27-38(34-52(45)59)60(39-28-30-48-46-19-8-11-24-54(46)62-57(48)35-39)53-23-13-21-41(37-26-31-56-49(32-37)47-20-9-12-25-55(47)61-56)58(53)50-33-36-14-3-4-15-40(36)42-16-5-6-17-43(42)50/h3-35H,1-2H3
InChIKeyNZSCOQOPLAFHPX-UHFFFAOYSA-N
MW793.97 g/mol
LogP16.90
Rot. Bonds5

About N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine

N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine (PubChem CID 177274937) has the molecular formula C59H39NO2 and a molecular weight of 793.97 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
PubChem CID177274937
Molecular FormulaC59H39NO2
Molecular Weight793.97 g/mol
Exact Mass793.30
IUPAC NameN-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4ccc5oc6ccccc6c5c4)c3-c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C59H39NO2/c1-59(2)51-22-10-7-18-44(51)45-29-27-38(34-52(45)59)60(39-28-30-48-46-19-8-11-24-54(46)62-57(48)35-39)53-23-13-21-41(37-26-31-56-49(32-37)47-20-9-12-25-55(47)61-56)58(53)50-33-36-14-3-4-15-40(36)42-16-5-6-17-43(42)50/h3-35H,1-2H3
InChIKeyNZSCOQOPLAFHPX-UHFFFAOYSA-N
XLogP16.90
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)fluoren-2-amine
CID 177274863
N-(2-dibenzofuran-2-yl-3-phenanthren-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 177274472
1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 177294550
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-2-amine
CID 177280648
N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177280924
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176583322
N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293247
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine
CID 177281538
N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281265
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280624
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
The IUPAC name of N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine (CID 177274937) is N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
The canonical SMILES for N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc(-c4ccc5oc6ccccc6c5c4)c3-c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
The InChIKey is NZSCOQOPLAFHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NO2/c1-59(2)51-22-10-7-18-44(51)45-29-27-38(34-52(45)59)60(39-28-30-48-46-19-8-11-24-54(46)62-57(48)35-39)53-23-13-21-41(37-26-31-56-49(32-37)47-20-9-12-25-55(47)61-56)58(53)50-33-36-14-3-4-15-40(36)42-16-5-6-17-43(42)50/h3-35H,1-2H3.
What are the key properties of N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine?
N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine has a molecular weight of 793.97 g/mol, XLogP of 16.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 177274937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).