N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine

C59H37NO3 — CID 170272549

IUPACN-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3ccc3c5ccccc5oc43)cc2)cc1
InChIInChI=1S/C59H37NO3/c1-2-15-38(16-3-1)42-17-4-5-18-43(42)39-29-31-40(32-30-39)60(52-24-14-20-46-44(52)34-35-47-45-19-6-10-25-53(45)63-58(46)47)41-33-36-51-57(37-41)62-56-28-13-9-23-50(56)59(51)48-21-7-11-26-54(48)61-55-27-12-8-22-49(55)59/h1-37H
InChIKeyHXPWXOKHYWQKLH-UHFFFAOYSA-N
MW807.95 g/mol
LogP16.14
Rot. Bonds5

About N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine

N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine (PubChem CID 170272549) has the molecular formula C59H37NO3 and a molecular weight of 807.95 g/mol. Its IUPAC name is N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine.

Molecular Properties

Compound NameN-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine
PubChem CID170272549
Molecular FormulaC59H37NO3
Molecular Weight807.95 g/mol
Exact Mass807.28
IUPAC NameN-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3ccc3c5ccccc5oc43)cc2)cc1
InChIInChI=1S/C59H37NO3/c1-2-15-38(16-3-1)42-17-4-5-18-43(42)39-29-31-40(32-30-39)60(52-24-14-20-46-44(52)34-35-47-45-19-6-10-25-53(45)63-58(46)47)41-33-36-51-57(37-41)62-56-28-13-9-23-50(56)59(51)48-21-7-11-26-54(48)61-55-27-12-8-22-49(55)59/h1-37H
InChIKeyHXPWXOKHYWQKLH-UHFFFAOYSA-N
XLogP16.14
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.95
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
CID 174232918
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-10-amine
CID 164730828
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
CID 163790193
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176643
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138477714
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475955
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-dibenzofuran-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 158083207
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 135195874
N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794531
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3-amine
CID 159689276
N-(4-dibenzofuran-4-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476214
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662

Frequently Asked Questions

What is the IUPAC name of N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine?
The IUPAC name of N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine (CID 170272549) is N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine.
What is the SMILES notation for N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine?
The canonical SMILES for N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3ccc3c5ccccc5oc43)cc2)cc1.
What is the InChIKey of N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine?
The InChIKey is HXPWXOKHYWQKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NO3/c1-2-15-38(16-3-1)42-17-4-5-18-43(42)39-29-31-40(32-30-39)60(52-24-14-20-46-44(52)34-35-47-45-19-6-10-25-53(45)63-58(46)47)41-33-36-51-57(37-41)62-56-28-13-9-23-50(56)59(51)48-21-7-11-26-54(48)61-55-27-12-8-22-49(55)59/h1-37H.
What are the key properties of N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine?
N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine has a molecular weight of 807.95 g/mol, XLogP of 16.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine is sourced from PubChem (CID 170272549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).