N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine

C43H27NOS — CID 169305108

IUPACN-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccc(Nc5cccc6oc7ccccc7c56)cc4S3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H27NOS/c1-2-11-27(12-3-1)28-21-24-40-36(25-28)43(33-16-7-4-13-30(33)31-14-5-8-17-34(31)43)35-23-22-29(26-41(35)46-40)44-37-18-10-20-39-42(37)32-15-6-9-19-38(32)45-39/h1-26,44H
InChIKeyGWKDDGVQZFGALQ-UHFFFAOYSA-N
MW605.76 g/mol
LogP11.82
Rot. Bonds3

About N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine

N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine (PubChem CID 169305108) has the molecular formula C43H27NOS and a molecular weight of 605.76 g/mol. Its IUPAC name is N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine
PubChem CID169305108
Molecular FormulaC43H27NOS
Molecular Weight605.76 g/mol
Exact Mass605.18
IUPAC NameN-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccc(Nc5cccc6oc7ccccc7c56)cc4S3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H27NOS/c1-2-11-27(12-3-1)28-21-24-40-36(25-28)43(33-16-7-4-13-30(33)31-14-5-8-17-34(31)43)35-23-22-29(26-41(35)46-40)44-37-18-10-20-39-42(37)32-15-6-9-19-38(32)45-39/h1-26,44H
InChIKeyGWKDDGVQZFGALQ-UHFFFAOYSA-N
XLogP11.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.76
LogP ≤ 511.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine
CID 162029641
N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163590855
6-(2,3,4,5,6-pentadeuteriophenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-2-amine;1-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-3-amine;8-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-4-amine
CID 167658609
8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176759708
2-N,2-N-diphenyl-6-N-(6'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzothiophene-2,6-diamine
CID 166958559
N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 166959966
2,4-diphenyl-6-spiro[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'-thioxanthene]-2'-yl-1,3,5-triazine
CID 147749545
2,4-diphenyl-6-[3-(3-spiro[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'-thioxanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 147415682
N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine
CID 164707097
N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
CID 169305210
9,9-di(dibenzofuran-2-yl)-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 142453747
4,6-bis(4-phenylphenyl)-2-[6'-[3-[4-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine
CID 166737876

Frequently Asked Questions

What is the IUPAC name of N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine?
The IUPAC name of N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine (CID 169305108) is N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine is c1ccc(-c2ccc3c(c2)C2(c4ccc(Nc5cccc6oc7ccccc7c56)cc4S3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine?
The InChIKey is GWKDDGVQZFGALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NOS/c1-2-11-27(12-3-1)28-21-24-40-36(25-28)43(33-16-7-4-13-30(33)31-14-5-8-17-34(31)43)35-23-22-29(26-41(35)46-40)44-37-18-10-20-39-42(37)32-15-6-9-19-38(32)45-39/h1-26,44H.
What are the key properties of N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine?
N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine has a molecular weight of 605.76 g/mol, XLogP of 11.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine is sourced from PubChem (CID 169305108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).