4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

C47H28N4O — CID 146655633

IUPAC4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESc1cnc2c(c1)C1(c3cccnc3-2)c2cccc(-n3c4ccccc4c4ccccc43)c2Oc2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C47H28N4O/c1-5-21-37-29(13-1)30-14-2-6-22-38(30)50(37)41-25-9-17-35-45(41)52-46-36(47(35)33-19-11-27-48-43(33)44-34(47)20-12-28-49-44)18-10-26-42(46)51-39-23-7-3-15-31(39)32-16-4-8-24-40(32)51/h1-28H
InChIKeyBZEYRTGOIDOWPE-UHFFFAOYSA-N
MW664.77 g/mol
LogP11.14
Rot. Bonds2

About 4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (PubChem CID 146655633) has the molecular formula C47H28N4O and a molecular weight of 664.77 g/mol. Its IUPAC name is 4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].

Molecular Properties

Compound Name4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
PubChem CID146655633
Molecular FormulaC47H28N4O
Molecular Weight664.77 g/mol
Exact Mass664.23
IUPAC Name4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESc1cnc2c(c1)C1(c3cccnc3-2)c2cccc(-n3c4ccccc4c4ccccc43)c2Oc2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C47H28N4O/c1-5-21-37-29(13-1)30-14-2-6-22-38(30)50(37)41-25-9-17-35-45(41)52-46-36(47(35)33-19-11-27-48-43(33)44-34(47)20-12-28-49-44)18-10-26-42(46)51-39-23-7-3-15-31(39)32-16-4-8-24-40(32)51/h1-28H
InChIKeyBZEYRTGOIDOWPE-UHFFFAOYSA-N
XLogP11.14
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] with MolForge

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Related Compounds

4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654809
4'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654482
4'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654790
9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole
CID 167178045
4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654807
4'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]
CID 146655844
9-(5'-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl)carbazole-3,6-dicarbonitrile
CID 146655320
9-spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-ylcarbazole-3,6-dicarbonitrile
CID 146655621
9-[5-(3-cyanocarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-4'-yl]carbazole-3,6-dicarbonitrile
CID 146655895
1',6'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655287
9-(4'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-5-yl)carbazole-3,6-dicarbonitrile
CID 146655383
2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654397

Frequently Asked Questions

What is the IUPAC name of 4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The IUPAC name of 4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146655633) is 4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].
What is the SMILES notation for 4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The canonical SMILES for 4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is c1cnc2c(c1)C1(c3cccnc3-2)c2cccc(-n3c4ccccc4c4ccccc43)c2Oc2c(-n3c4ccccc4c4ccccc43)cccc21.
What is the InChIKey of 4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The InChIKey is BZEYRTGOIDOWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O/c1-5-21-37-29(13-1)30-14-2-6-22-38(30)50(37)41-25-9-17-35-45(41)52-46-36(47(35)33-19-11-27-48-43(33)44-34(47)20-12-28-49-44)18-10-26-42(46)51-39-23-7-3-15-31(39)32-16-4-8-24-40(32)51/h1-28H.
What are the key properties of 4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] has a molecular weight of 664.77 g/mol, XLogP of 11.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4',5'-di(carbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is sourced from PubChem (CID 146655633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).