N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

C49H35NO — CID 177121830

IUPACN-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4cccc5c4oc4c6ccccc6ccc54)c3)ccc21
InChIInChI=1S/C49H35NO/c1-49(2)44-23-9-8-21-40(44)43-31-36(26-28-45(43)49)35-17-11-19-38(30-35)50(37-18-10-16-34(29-37)32-13-4-3-5-14-32)46-24-12-22-41-42-27-25-33-15-6-7-20-39(33)47(42)51-48(41)46/h3-31H,1-2H3
InChIKeyGYPFLEIKSURDCQ-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.85
Rot. Bonds5

About N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine

N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 177121830) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID177121830
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4cccc5c4oc4c6ccccc6ccc54)c3)ccc21
InChIInChI=1S/C49H35NO/c1-49(2)44-23-9-8-21-40(44)43-31-36(26-28-45(43)49)35-17-11-19-38(30-35)50(37-18-10-16-34(29-37)32-13-4-3-5-14-32)46-24-12-22-41-42-27-25-33-15-6-7-20-39(33)47(42)51-48(41)46/h3-31H,1-2H3
InChIKeyGYPFLEIKSURDCQ-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121520
9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
CID 177121567
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121496
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-10-amine
CID 160770328
N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 166917437
N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 166028540
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 159844294
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177121634
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine
CID 134392980

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine (CID 177121830) is N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is CC1(C)c2ccccc2-c2cc(-c3cccc(N(c4cccc(-c5ccccc5)c4)c4cccc5c4oc4c6ccccc6ccc54)c3)ccc21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is GYPFLEIKSURDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)44-23-9-8-21-40(44)43-31-36(26-28-45(43)49)35-17-11-19-38(30-35)50(37-18-10-16-34(29-37)32-13-4-3-5-14-32)46-24-12-22-41-42-27-25-33-15-6-7-20-39(33)47(42)51-48(41)46/h3-31H,1-2H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine?
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 653.83 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 177121830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).