7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole

C48H34N2O2 — CID 118861041

IUPAC7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole
SMILESC1=CCNC(c2ccc3c(c2)Oc2cc(-c4ccc5c6c(n(-c7ccccc7)c5c4)CCC=C6)ccc2C32c3ccccc3Oc3ccccc32)=C1
InChIInChI=1S/C48H34N2O2/c1-2-12-34(13-3-1)50-42-18-7-4-14-35(42)36-24-21-31(28-43(36)50)32-22-25-39-46(29-32)52-47-30-33(41-17-10-11-27-49-41)23-26-40(47)48(39)37-15-5-8-19-44(37)51-45-20-9-6-16-38(45)48/h1-6,8-17,19-26,28-30,49H,7,18,27H2
InChIKeyQILPJCKVQYUWMM-UHFFFAOYSA-N
MW670.81 g/mol
LogP11.35
Rot. Bonds3

About 7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole

7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole (PubChem CID 118861041) has the molecular formula C48H34N2O2 and a molecular weight of 670.81 g/mol. Its IUPAC name is 7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole
PubChem CID118861041
Molecular FormulaC48H34N2O2
Molecular Weight670.81 g/mol
Exact Mass670.26
IUPAC Name7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole
SMILESC1=CCNC(c2ccc3c(c2)Oc2cc(-c4ccc5c6c(n(-c7ccccc7)c5c4)CCC=C6)ccc2C32c3ccccc3Oc3ccccc32)=C1
InChIInChI=1S/C48H34N2O2/c1-2-12-34(13-3-1)50-42-18-7-4-14-35(42)36-24-21-31(28-43(36)50)32-22-25-39-46(29-32)52-47-30-33(41-17-10-11-27-49-41)23-26-40(47)48(39)37-15-5-8-19-44(37)51-45-20-9-6-16-38(45)48/h1-6,8-17,19-26,28-30,49H,7,18,27H2
InChIKeyQILPJCKVQYUWMM-UHFFFAOYSA-N
XLogP11.35
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.81
LogP ≤ 511.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4-yl]-9-phenylcarbazole
CID 118860801
4-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]pyridine
CID 118861117
3-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-1,2-dihydropyridine
CID 118860933
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
2-[3-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-4'-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 118861107
2-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-2-yl]-9H-carbazole
CID 144578976
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
4-(1,2-dihydropyridin-6-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389212
9-phenyl-5-[3'-(1,2,3,6-tetrahydropyridin-2-yl)spiro[5,10a-dihydroxanthene-9,9'-xanthene]-4-yl]-1,2-dihydrocarbazole
CID 139539875
5-(4-phenylphenyl)-3,4-dihydrobenzo[b]carbazole
CID 144920025
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole
CID 170144355
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

Frequently Asked Questions

What is the IUPAC name of 7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole?
The IUPAC name of 7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole (CID 118861041) is 7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole.
What is the SMILES notation for 7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole?
The canonical SMILES for 7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole is C1=CCNC(c2ccc3c(c2)Oc2cc(-c4ccc5c6c(n(-c7ccccc7)c5c4)CCC=C6)ccc2C32c3ccccc3Oc3ccccc32)=C1.
What is the InChIKey of 7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole?
The InChIKey is QILPJCKVQYUWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O2/c1-2-12-34(13-3-1)50-42-18-7-4-14-35(42)36-24-21-31(28-43(36)50)32-22-25-39-46(29-32)52-47-30-33(41-17-10-11-27-49-41)23-26-40(47)48(39)37-15-5-8-19-44(37)51-45-20-9-6-16-38(45)48/h1-6,8-17,19-26,28-30,49H,7,18,27H2.
What are the key properties of 7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole?
7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole has a molecular weight of 670.81 g/mol, XLogP of 11.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(1,2-dihydropyridin-6-yl)-9,9'-spirobi[xanthene]-3-yl]-9-phenyl-1,2-dihydrocarbazole is sourced from PubChem (CID 118861041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).