N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine

C47H29NO2 — CID 164794801

IUPACN-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C47H29NO2/c1-2-14-31(15-3-1)48(33-24-26-36-35-17-5-8-22-42(35)49-45(36)29-33)32-25-27-44-41(28-32)47(39-20-7-9-23-43(39)50-44)38-19-6-4-16-34(38)37-18-10-12-30-13-11-21-40(47)46(30)37/h1-29H
InChIKeyUQYQWWJVBJXERZ-UHFFFAOYSA-N
MW639.75 g/mol
LogP12.68
Rot. Bonds3

About N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine

N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine (PubChem CID 164794801) has the molecular formula C47H29NO2 and a molecular weight of 639.75 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
PubChem CID164794801
Molecular FormulaC47H29NO2
Molecular Weight639.75 g/mol
Exact Mass639.22
IUPAC NameN-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C47H29NO2/c1-2-14-31(15-3-1)48(33-24-26-36-35-17-5-8-22-42(35)49-45(36)29-33)32-25-27-44-41(28-32)47(39-20-7-9-23-43(39)50-44)38-19-6-4-16-34(38)37-18-10-12-30-13-11-21-40(47)46(30)37/h1-29H
InChIKeyUQYQWWJVBJXERZ-UHFFFAOYSA-N
XLogP12.68
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.75
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-xanthene]-2'-ylbenzene-1,3-diamine
CID 166959987
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164794806
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794710
N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794070
N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
CID 174232918
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-1-amine
CID 162771436
N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794073
1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine
CID 155483351
9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164793881
N-dibenzofuran-3-yl-N-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]-4-amine
CID 162771468
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine
CID 162771437

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine (CID 164794801) is N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
The InChIKey is UQYQWWJVBJXERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NO2/c1-2-14-31(15-3-1)48(33-24-26-36-35-17-5-8-22-42(35)49-45(36)29-33)32-25-27-44-41(28-32)47(39-20-7-9-23-43(39)50-44)38-19-6-4-16-34(38)37-18-10-12-30-13-11-21-40(47)46(30)37/h1-29H.
What are the key properties of N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine?
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine has a molecular weight of 639.75 g/mol, XLogP of 12.68, 3 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-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine is sourced from PubChem (CID 164794801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).