6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]

C49H30N4O — CID 168855130

IUPAC6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C49H30N4O/c1-3-15-36-34(13-1)46-47(49(36)37-16-4-7-21-44(37)54-45-22-8-5-17-38(45)49)35-14-2-6-18-39(35)53-48(46)32-25-23-31(24-26-32)33-29-42(40-19-9-11-27-50-40)52-43(30-33)41-20-10-12-28-51-41/h1-30H
InChIKeyVHZIVNFTMJLLRN-UHFFFAOYSA-N
MW690.81 g/mol
LogP11.56
Rot. Bonds4

About 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]

6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] (PubChem CID 168855130) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene].

Molecular Properties

Compound Name6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
PubChem CID168855130
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C49H30N4O/c1-3-15-36-34(13-1)46-47(49(36)37-16-4-7-21-44(37)54-45-22-8-5-17-38(45)49)35-14-2-6-18-39(35)53-48(46)32-25-23-31(24-26-32)33-29-42(40-19-9-11-27-50-40)52-43(30-33)41-20-10-12-28-51-41/h1-30H
InChIKeyVHZIVNFTMJLLRN-UHFFFAOYSA-N
XLogP11.56
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] with MolForge

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Related Compounds

6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855069
14-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-xanthene];14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-xanthene]
CID 165058245
19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]
CID 165062149
6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898643
6'-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 168855290
6-[3-(4-diphenylphosphorylphenyl)phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
CID 163988841
6-phenyl-4'-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855212
7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene];21-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-xanthene]
CID 165056308
10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine
CID 146549133
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 130380006
4-[4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline
CID 129302303
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine
CID 146549323

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]?
The IUPAC name of 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] (CID 168855130) is 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene].
What is the SMILES notation for 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]?
The canonical SMILES for 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] is c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]?
The InChIKey is VHZIVNFTMJLLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-3-15-36-34(13-1)46-47(49(36)37-16-4-7-21-44(37)54-45-22-8-5-17-38(45)49)35-14-2-6-18-39(35)53-48(46)32-25-23-31(24-26-32)33-29-42(40-19-9-11-27-50-40)52-43(30-33)41-20-10-12-28-51-41/h1-30H.
What are the key properties of 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]?
6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] has a molecular weight of 690.81 g/mol, XLogP of 11.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene] is sourced from PubChem (CID 168855130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).