N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine

C49H33NO2 — CID 170675083

IUPACN-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc(-c4ccccc4)cc4oc5ccc6ccccc6c5c34)cc21
InChIInChI=1S/C49H33NO2/c1-49(2)40-18-10-8-16-36(40)37-23-21-33(28-41(37)49)50(34-22-24-39-38-17-9-11-19-43(38)51-45(39)29-34)42-26-32(30-12-4-3-5-13-30)27-46-48(42)47-35-15-7-6-14-31(35)20-25-44(47)52-46/h3-29H,1-2H3
InChIKeyJMNPAHQJIGWCAS-UHFFFAOYSA-N
MW667.81 g/mol
LogP14.08
Rot. Bonds4

About N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine

N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 170675083) has the molecular formula C49H33NO2 and a molecular weight of 667.81 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine
PubChem CID170675083
Molecular FormulaC49H33NO2
Molecular Weight667.81 g/mol
Exact Mass667.25
IUPAC NameN-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc(-c4ccccc4)cc4oc5ccc6ccccc6c5c34)cc21
InChIInChI=1S/C49H33NO2/c1-49(2)40-18-10-8-16-36(40)37-23-21-33(28-41(37)49)50(34-22-24-39-38-17-9-11-19-43(38)51-45(39)29-34)42-26-32(30-12-4-3-5-13-30)27-46-48(42)47-35-15-7-6-14-31(35)20-25-44(47)52-46/h3-29H,1-2H3
InChIKeyJMNPAHQJIGWCAS-UHFFFAOYSA-N
XLogP14.08
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
N-chrysen-5-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 170140140
N-dibenzofuran-2-yl-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-dibenzofuran-3-yl-N-(3-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine
CID 158236327
N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170674899
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170675439
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
CID 177280731
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 71126693
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine
CID 155623473
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-3-amine
CID 177280948
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 159257913

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine (CID 170675083) is N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc(-c4ccccc4)cc4oc5ccc6ccccc6c5c34)cc21.
What is the InChIKey of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is JMNPAHQJIGWCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO2/c1-49(2)40-18-10-8-16-36(40)37-23-21-33(28-41(37)49)50(34-22-24-39-38-17-9-11-19-43(38)51-45(39)29-34)42-26-32(30-12-4-3-5-13-30)27-46-48(42)47-35-15-7-6-14-31(35)20-25-44(47)52-46/h3-29H,1-2H3.
What are the key properties of N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine?
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine has a molecular weight of 667.81 g/mol, XLogP of 14.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 170675083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).