3',5,6',11-tetra(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]

C71H42N6O — CID 146654393

IUPAC3',5,6',11-tetra(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]
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C71H42N6O/c1-9-25-59-47(17-1)48-18-2-10-26-60(48)74(59)43-33-35-55-67(39-43)78-68-40-44(75-61-27-11-3-19-49(61)50-20-4-12-28-62(50)75)34-36-56(68)71(55)57-37-45(76-63-29-13-5-21-51(63)52-22-6-14-30-64(52)76)41-72-69(57)70-58(71)38-46(42-73-70)77-65-31-15-7-23-53(65)54-24-8-16-32-66(54)77/h1-42H
InChIKeyFWHBAWMYCXYRIZ-UHFFFAOYSA-N
MW995.16 g/mol
LogP17.33
Rot. Bonds4

About 3',5,6',11-tetra(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]

3',5,6',11-tetra(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 146654393) has the molecular formula C71H42N6O and a molecular weight of 995.16 g/mol. Its IUPAC name is 3',5,6',11-tetra(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 Name3',5,6',11-tetra(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 CID146654393
Molecular FormulaC71H42N6O
Molecular Weight995.16 g/mol
Exact Mass994.34
IUPAC Name3',5,6',11-tetra(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]
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C71H42N6O/c1-9-25-59-47(17-1)48-18-2-10-26-60(48)74(59)43-33-35-55-67(39-43)78-68-40-44(75-61-27-11-3-19-49(61)50-20-4-12-28-62(50)75)34-36-56(68)71(55)57-37-45(76-63-29-13-5-21-51(63)52-22-6-14-30-64(52)76)41-72-69(57)70-58(71)38-46(42-73-70)77-65-31-15-7-23-53(65)54-24-8-16-32-66(54)77/h1-42H
InChIKeyFWHBAWMYCXYRIZ-UHFFFAOYSA-N
XLogP17.33
TPSA54.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.16
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3',5,6',11-tetra(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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Frequently Asked Questions

What is the IUPAC name of 3',5,6',11-tetra(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 3',5,6',11-tetra(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 146654393) is 3',5,6',11-tetra(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 3',5,6',11-tetra(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 3',5,6',11-tetra(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 c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 3',5,6',11-tetra(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 FWHBAWMYCXYRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H42N6O/c1-9-25-59-47(17-1)48-18-2-10-26-60(48)74(59)43-33-35-55-67(39-43)78-68-40-44(75-61-27-11-3-19-49(61)50-20-4-12-28-62(50)75)34-36-56(68)71(55)57-37-45(76-63-29-13-5-21-51(63)52-22-6-14-30-64(52)76)41-72-69(57)70-58(71)38-46(42-73-70)77-65-31-15-7-23-53(65)54-24-8-16-32-66(54)77/h1-42H.
What are the key properties of 3',5,6',11-tetra(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]?
3',5,6',11-tetra(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 995.16 g/mol, XLogP of 17.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3',5,6',11-tetra(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 146654393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).