8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline

C55H36N4O — CID 164793109

IUPAC8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline
SMILESC1=C(c2ccc3c(c2)Oc2cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc2C32c3ccccc3-c3ccccc32)c2ncccc2CC1
InChIInChI=1S/C55H36N4O/c1-3-14-36(15-4-1)52-57-53(37-16-5-2-6-17-37)59-54(58-52)41-20-11-19-38(32-41)39-27-29-47-49(33-39)60-50-34-40(42-24-12-18-35-21-13-31-56-51(35)42)28-30-48(50)55(47)45-25-9-7-22-43(45)44-23-8-10-26-46(44)55/h1-11,13-17,19-34H,12,18H2
InChIKeyIIRKOQAVUDKYCJ-UHFFFAOYSA-N
MW768.92 g/mol
LogP12.78
Rot. Bonds5

About 8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline

8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline (PubChem CID 164793109) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is 8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline.

Molecular Properties

Compound Name8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline
PubChem CID164793109
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC Name8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline
SMILESC1=C(c2ccc3c(c2)Oc2cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc2C32c3ccccc3-c3ccccc32)c2ncccc2CC1
InChIInChI=1S/C55H36N4O/c1-3-14-36(15-4-1)52-57-53(37-16-5-2-6-17-37)59-54(58-52)41-20-11-19-38(32-41)39-27-29-47-49(33-39)60-50-34-40(42-24-12-18-35-21-13-31-56-51(35)42)28-30-48(50)55(47)45-25-9-7-22-43(45)44-23-8-10-26-46(44)55/h1-11,13-17,19-34H,12,18H2
InChIKeyIIRKOQAVUDKYCJ-UHFFFAOYSA-N
XLogP12.78
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 164793113
2,4-diphenyl-6-[3-(3-spiro[benzo[b]xanthene-12,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine
CID 155054955
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 137388424
2,4-diphenyl-6-[2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 160865421
8-[6'-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 164793250
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)cyclohexa-1,3-dien-1-yl]pyrimidine
CID 155443152
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 167178462
5-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]isoquinoline
CID 146547947
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
8-[7'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 167178042

Frequently Asked Questions

What is the IUPAC name of 8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline?
The IUPAC name of 8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline (CID 164793109) is 8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline.
What is the SMILES notation for 8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline?
The canonical SMILES for 8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline is C1=C(c2ccc3c(c2)Oc2cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc2C32c3ccccc3-c3ccccc32)c2ncccc2CC1.
What is the InChIKey of 8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline?
The InChIKey is IIRKOQAVUDKYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-3-14-36(15-4-1)52-57-53(37-16-5-2-6-17-37)59-54(58-52)41-20-11-19-38(32-41)39-27-29-47-49(33-39)60-50-34-40(42-24-12-18-35-21-13-31-56-51(35)42)28-30-48(50)55(47)45-25-9-7-22-43(45)44-23-8-10-26-46(44)55/h1-11,13-17,19-34H,12,18H2.
What are the key properties of 8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline?
8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline has a molecular weight of 768.92 g/mol, XLogP of 12.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]-5,6-dihydroquinoline is sourced from PubChem (CID 164793109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).