3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole

C48H32N2O2 — CID 118860801

IUPAC3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole
SMILESC1=CCNC(c2ccc3c(c2)Oc2c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc2C32c3ccccc3Oc3ccccc32)=C1
InChIInChI=1S/C48H32N2O2/c1-2-13-33(14-3-1)50-42-21-7-4-15-35(42)36-29-31(25-27-43(36)50)34-16-12-19-40-47(34)52-46-30-32(41-20-10-11-28-49-41)24-26-39(46)48(40)37-17-5-8-22-44(37)51-45-23-9-6-18-38(45)48/h1-27,29-30,49H,28H2
InChIKeyAEGVTYUKCIRUIO-UHFFFAOYSA-N
MW668.80 g/mol
LogP11.55
Rot. Bonds3

About 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole

3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole (PubChem CID 118860801) has the molecular formula C48H32N2O2 and a molecular weight of 668.80 g/mol. Its IUPAC name is 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole
PubChem CID118860801
Molecular FormulaC48H32N2O2
Molecular Weight668.80 g/mol
Exact Mass668.25
IUPAC Name3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole
SMILESC1=CCNC(c2ccc3c(c2)Oc2c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc2C32c3ccccc3Oc3ccccc32)=C1
InChIInChI=1S/C48H32N2O2/c1-2-13-33(14-3-1)50-42-21-7-4-15-35(42)36-29-31(25-27-43(36)50)34-16-12-19-40-47(34)52-46-30-32(41-20-10-11-28-49-41)24-26-39(46)48(40)37-17-5-8-22-44(37)51-45-23-9-6-18-38(45)48/h1-27,29-30,49H,28H2
InChIKeyAEGVTYUKCIRUIO-UHFFFAOYSA-N
XLogP11.55
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 511.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[11-(1,2-dihydropyridin-6-yl)-1-methyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-2,4,6,9(14),10,12,15,17,19,22,24-undecaen-3-yl]-9-phenylcarbazole
CID 118861042
7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole
CID 118861041
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole
CID 118698170
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
4-[3'-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[thioxanthene]-3-yl]-9-phenylcarbazole
CID 118860869
4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[thioxanthene]-3-yl]-9-phenylcarbazole
CID 118861080
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole
CID 118698161
4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine
CID 118861117
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
9-phenyl-3-(11-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-6-yl)carbazole
CID 118700467
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole?
The IUPAC name of 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole (CID 118860801) is 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole is C1=CCNC(c2ccc3c(c2)Oc2c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc2C32c3ccccc3Oc3ccccc32)=C1.
What is the InChIKey of 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole?
The InChIKey is AEGVTYUKCIRUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O2/c1-2-13-33(14-3-1)50-42-21-7-4-15-35(42)36-29-31(25-27-43(36)50)34-16-12-19-40-47(34)52-46-30-32(41-20-10-11-28-49-41)24-26-39(46)48(40)37-17-5-8-22-44(37)51-45-23-9-6-18-38(45)48/h1-27,29-30,49H,28H2.
What are the key properties of 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole?
3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole has a molecular weight of 668.80 g/mol, XLogP of 11.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 118860801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).