9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole

C49H30N2O — CID 167178045

IUPAC9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2cccc(-n3c4ccccc4c4ccccc43)c2Oc2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C49H30N2O/c1-7-21-37-31(15-1)32-16-2-8-22-38(32)49(37)39-23-13-29-45(50-41-25-9-3-17-33(41)34-18-4-10-26-42(34)50)47(39)52-48-40(49)24-14-30-46(48)51-43-27-11-5-19-35(43)36-20-6-12-28-44(36)51/h1-30H
InChIKeyTZWSUGCJEJHNEO-UHFFFAOYSA-N
MW662.79 g/mol
LogP12.35
Rot. Bonds2

About 9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole

9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole (PubChem CID 167178045) has the molecular formula C49H30N2O and a molecular weight of 662.79 g/mol. Its IUPAC name is 9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole.

Molecular Properties

Compound Name9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole
PubChem CID167178045
Molecular FormulaC49H30N2O
Molecular Weight662.79 g/mol
Exact Mass662.24
IUPAC Name9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2cccc(-n3c4ccccc4c4ccccc43)c2Oc2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C49H30N2O/c1-7-21-37-31(15-1)32-16-2-8-22-38(32)49(37)39-23-13-29-45(50-41-25-9-3-17-33(41)34-18-4-10-26-42(34)50)47(39)52-48-40(49)24-14-30-46(48)51-43-27-11-5-19-35(43)36-20-6-12-28-44(36)51/h1-30H
InChIKeyTZWSUGCJEJHNEO-UHFFFAOYSA-N
XLogP12.35
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.79
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
ethane;spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 158101812
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
9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
CID 129258967
9-naphthalen-1-yl-3-[4-[7'-[7'-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236395
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
15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 170015359
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
CID 134551622
CID 134551622
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
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

Frequently Asked Questions

What is the IUPAC name of 9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole?
The IUPAC name of 9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole (CID 167178045) is 9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole.
What is the SMILES notation for 9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole?
The canonical SMILES for 9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole is c1ccc2c(c1)-c1ccccc1C21c2cccc(-n3c4ccccc4c4ccccc43)c2Oc2c(-n3c4ccccc4c4ccccc43)cccc21.
What is the InChIKey of 9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole?
The InChIKey is TZWSUGCJEJHNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O/c1-7-21-37-31(15-1)32-16-2-8-22-38(32)49(37)39-23-13-29-45(50-41-25-9-3-17-33(41)34-18-4-10-26-42(34)50)47(39)52-48-40(49)24-14-30-46(48)51-43-27-11-5-19-35(43)36-20-6-12-28-44(36)51/h1-30H.
What are the key properties of 9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole?
9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole has a molecular weight of 662.79 g/mol, XLogP of 12.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5'-carbazol-9-ylspiro[fluorene-9,9'-xanthene]-4'-yl)carbazole is sourced from PubChem (CID 167178045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).