21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene]

C41H24O — CID 133053903

IUPAC21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene]
SMILESc1ccc(-c2cc3c4c(cc5c(c4c2)-c2ccccc2C52c4ccccc4Oc4ccccc42)-c2ccccc2-3)cc1
InChIInChI=1S/C41H24O/c1-2-12-25(13-3-1)26-22-30-27-14-4-5-15-28(27)31-24-36-40(32(23-26)39(30)31)29-16-6-7-17-33(29)41(36)34-18-8-10-20-37(34)42-38-21-11-9-19-35(38)41/h1-24H
InChIKeyKWZCOBLNLXOSBS-UHFFFAOYSA-N
MW532.64 g/mol
LogP10.62
Rot. Bonds1

About 21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene]

21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene] (PubChem CID 133053903) has the molecular formula C41H24O and a molecular weight of 532.64 g/mol. Its IUPAC name is 21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene].

Molecular Properties

Compound Name21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene]
PubChem CID133053903
Molecular FormulaC41H24O
Molecular Weight532.64 g/mol
Exact Mass532.18
IUPAC Name21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene]
SMILESc1ccc(-c2cc3c4c(cc5c(c4c2)-c2ccccc2C52c4ccccc4Oc4ccccc42)-c2ccccc2-3)cc1
InChIInChI=1S/C41H24O/c1-2-12-25(13-3-1)26-22-30-27-14-4-5-15-28(27)31-24-36-40(32(23-26)39(30)31)29-16-6-7-17-33(29)41(36)34-18-8-10-20-37(34)42-38-21-11-9-19-35(38)41/h1-24H
InChIKeyKWZCOBLNLXOSBS-UHFFFAOYSA-N
XLogP10.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene] 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-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 139355134
spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
CID 58390351
N-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477697
2,4-diphenyl-6-(4-spiro[indeno[1,2-e][1]benzothiole-6,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 167340474
N-[4-(3-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 159195923
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-amine
CID 126712785
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 138476405
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476259
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476345
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 138477297

Frequently Asked Questions

What is the IUPAC name of 21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene]?
The IUPAC name of 21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene] (CID 133053903) is 21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene].
What is the SMILES notation for 21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene]?
The canonical SMILES for 21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene] is c1ccc(-c2cc3c4c(cc5c(c4c2)-c2ccccc2C52c4ccccc4Oc4ccccc42)-c2ccccc2-3)cc1.
What is the InChIKey of 21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene]?
The InChIKey is KWZCOBLNLXOSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24O/c1-2-12-25(13-3-1)26-22-30-27-14-4-5-15-28(27)31-24-36-40(32(23-26)39(30)31)29-16-6-7-17-33(29)41(36)34-18-8-10-20-37(34)42-38-21-11-9-19-35(38)41/h1-24H.
What are the key properties of 21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene]?
21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene] has a molecular weight of 532.64 g/mol, XLogP of 10.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene] is sourced from PubChem (CID 133053903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).