13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine

C42H35N3O — CID 139374815

IUPAC13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)CCc2ccc(N)c(N)c2C32c3ccccc3Oc3ccccc32)c2ccccc21
InChIInChI=1S/C42H35N3O/c1-41(2)30-11-3-7-15-35(30)45(36-16-8-4-12-31(36)41)28-22-23-29-27(25-28)20-19-26-21-24-34(43)40(44)39(26)42(29)32-13-5-9-17-37(32)46-38-18-10-6-14-33(38)42/h3-18,21-25H,19-20,43-44H2,1-2H3
InChIKeyQTDWLNLBJJHGRP-UHFFFAOYSA-N
MW597.76 g/mol
LogP9.55
Rot. Bonds1

About 13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine

13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine (PubChem CID 139374815) has the molecular formula C42H35N3O and a molecular weight of 597.76 g/mol. Its IUPAC name is 13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine.

Molecular Properties

Compound Name13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine
PubChem CID139374815
Molecular FormulaC42H35N3O
Molecular Weight597.76 g/mol
Exact Mass597.28
IUPAC Name13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)CCc2ccc(N)c(N)c2C32c3ccccc3Oc3ccccc32)c2ccccc21
InChIInChI=1S/C42H35N3O/c1-41(2)30-11-3-7-15-35(30)45(36-16-8-4-12-31(36)41)28-22-23-29-27(25-28)20-19-26-21-24-34(43)40(44)39(26)42(29)32-13-5-9-17-37(32)46-38-18-10-6-14-33(38)42/h3-18,21-25H,19-20,43-44H2,1-2H3
InChIKeyQTDWLNLBJJHGRP-UHFFFAOYSA-N
XLogP9.55
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.76
LogP ≤ 59.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine 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

17-amino-26-(9,9-dimethylacridin-10-yl)-8,8-dimethylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(23),2,4,6,9,11,13,15,17,19,24,26-dodecaene-18-carbonitrile
CID 155474427
2-(9,9-dimethylacridin-10-yl)phenoxathiine 10,10-dioxide
CID 130397726
14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile
CID 139374823
2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
CID 146652293
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
9,9-dimethyl-10-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147956721
10-(10,10-diphenylphenoxathiin-2-yl)-9,9-dimethylacridine
CID 146561088
16-amino-25-(9,9-dimethylacridin-10-yl)pentacyclo[20.4.0.02,7.08,13.014,19]hexacosa-1(22),2,4,6,8,10,12,14,16,18,23,25-dodecaene-18-carbonitrile
CID 139374832
6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-xanthene]-10-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 159841201
10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene]
CID 166909529
10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine
CID 118698598
(Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine
CID 144898728

Frequently Asked Questions

What is the IUPAC name of 13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine?
The IUPAC name of 13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine (CID 139374815) is 13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine.
What is the SMILES notation for 13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine?
The canonical SMILES for 13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine is CC1(C)c2ccccc2N(c2ccc3c(c2)CCc2ccc(N)c(N)c2C32c3ccccc3Oc3ccccc32)c2ccccc21.
What is the InChIKey of 13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine?
The InChIKey is QTDWLNLBJJHGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N3O/c1-41(2)30-11-3-7-15-35(30)45(36-16-8-4-12-31(36)41)28-22-23-29-27(25-28)20-19-26-21-24-34(43)40(44)39(26)42(29)32-13-5-9-17-37(32)46-38-18-10-6-14-33(38)42/h3-18,21-25H,19-20,43-44H2,1-2H3.
What are the key properties of 13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine?
13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine has a molecular weight of 597.76 g/mol, XLogP of 9.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(9,9-dimethylacridin-10-yl)spiro[tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-2,9'-xanthene]-4,5-diamine is sourced from PubChem (CID 139374815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).