N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine

C51H35NO — CID 169295604

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3c(-c5ccccc5)c5ccccc5cc34)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C51H35NO/c1-51(2)45-23-13-12-21-40(45)41-26-24-35(30-46(41)51)52(47-29-34-17-6-8-18-37(34)39-20-10-11-22-42(39)47)36-25-27-43-44-28-33-16-7-9-19-38(33)49(32-14-4-3-5-15-32)50(44)53-48(43)31-36/h3-31H,1-2H3
InChIKeyYBECSYRXGBZTKR-UHFFFAOYSA-N
MW677.85 g/mol
LogP14.49
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169295604) has the molecular formula C51H35NO and a molecular weight of 677.85 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
PubChem CID169295604
Molecular FormulaC51H35NO
Molecular Weight677.85 g/mol
Exact Mass677.27
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3c(-c5ccccc5)c5ccccc5cc34)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/C51H35NO/c1-51(2)45-23-13-12-21-40(45)41-26-24-35(30-46(41)51)52(47-29-34-17-6-8-18-37(34)39-20-10-11-22-42(39)47)36-25-27-43-44-28-33-16-7-9-19-38(33)49(32-14-4-3-5-15-32)50(44)53-48(43)31-36/h3-31H,1-2H3
InChIKeyYBECSYRXGBZTKR-UHFFFAOYSA-N
XLogP14.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 514.49
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,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295457
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296235
N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296132
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337
6-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295605
N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295596
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-(4-triphenylen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295211
N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295352

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine (CID 169295604) is N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3c(-c5ccccc5)c5ccccc5cc34)c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is YBECSYRXGBZTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO/c1-51(2)45-23-13-12-21-40(45)41-26-24-35(30-46(41)51)52(47-29-34-17-6-8-18-37(34)39-20-10-11-22-42(39)47)36-25-27-43-44-28-33-16-7-9-19-38(33)49(32-14-4-3-5-15-32)50(44)53-48(43)31-36/h3-31H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 677.85 g/mol, XLogP of 14.49, 4 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)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169295604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).