3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

C64H38N6O — CID 146655805

IUPAC3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-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(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cncc(-n5c6ccccc6c6ccccc65)c4)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc31)c1cccnc1-2
InChIInChI=1S/C64H38N6O/c1-6-20-54-44(13-1)45-14-2-7-21-55(45)68(54)41-27-29-51-61(36-41)71-60-34-40(25-28-50(60)64(51)52-18-11-31-66-62(52)63-53(64)19-12-32-67-63)39-26-30-59-49(33-39)48-17-5-10-24-58(48)70(59)43-35-42(37-65-38-43)69-56-22-8-3-15-46(56)47-16-4-9-23-57(47)69/h1-38H
InChIKeyHANXCONHOJNQOU-UHFFFAOYSA-N
MW907.05 g/mol
LogP15.30
Rot. Bonds4

About 3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-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 146655805) has the molecular formula C64H38N6O and a molecular weight of 907.05 g/mol. Its IUPAC name is 3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-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'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
PubChem CID146655805
Molecular FormulaC64H38N6O
Molecular Weight907.05 g/mol
Exact Mass906.31
IUPAC Name3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-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(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cncc(-n5c6ccccc6c6ccccc65)c4)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc31)c1cccnc1-2
InChIInChI=1S/C64H38N6O/c1-6-20-54-44(13-1)45-14-2-7-21-55(45)68(54)41-27-29-51-61(36-41)71-60-34-40(25-28-50(60)64(51)52-18-11-31-66-62(52)63-53(64)19-12-32-67-63)39-26-30-59-49(33-39)48-17-5-10-24-58(48)70(59)43-35-42(37-65-38-43)69-56-22-8-3-15-46(56)47-16-4-9-23-57(47)69/h1-38H
InChIKeyHANXCONHOJNQOU-UHFFFAOYSA-N
XLogP15.30
TPSA62.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.05
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-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

5,6'-di(carbazol-9-yl)-2'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654531
3'-carbazol-9-yl-5-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146656046
2'-carbazol-9-yl-7'-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146656062
9-[6'-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile
CID 146656162
5,6'-di(carbazol-9-yl)-2'-[9-(3-carbazol-9-yl-2-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654524
3'-carbazol-9-yl-6'-(3-phenoxazin-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 146655393
9-(3-carbazol-9-ylphenyl)-6-[5,6'-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]-2'-yl]carbazole-3-carbonitrile
CID 146656107
3',5'-bis(9-phenylcarbazol-3-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146656087
9-[7'-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]-3'-yl]carbazole-3-carbonitrile
CID 146656131
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
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
3'-(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 146654552

Frequently Asked Questions

What is the IUPAC name of 3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-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'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146655805) is 3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-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'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-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'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-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(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cncc(-n5c6ccccc6c6ccccc65)c4)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc31)c1cccnc1-2.
What is the InChIKey of 3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-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 HANXCONHOJNQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N6O/c1-6-20-54-44(13-1)45-14-2-7-21-55(45)68(54)41-27-29-51-61(36-41)71-60-34-40(25-28-50(60)64(51)52-18-11-31-66-62(52)63-53(64)19-12-32-67-63)39-26-30-59-49(33-39)48-17-5-10-24-58(48)70(59)43-35-42(37-65-38-43)69-56-22-8-3-15-46(56)47-16-4-9-23-57(47)69/h1-38H.
What are the key properties of 3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-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 907.05 g/mol, XLogP of 15.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-carbazol-9-yl-6'-[9-(5-carbazol-9-yl-3-pyridinyl)carbazol-3-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 146655805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).