2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine

C45H35N3 — CID 167353943

IUPAC2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3c(ccc5ccccc35)C43C4CC5CC(C4)CC3C5)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C45H35N3/c1-2-10-31(11-3-1)42-46-43(33-15-14-29-8-4-5-12-32(29)25-33)48-44(47-42)34-17-18-39-38(26-34)41-37-13-7-6-9-30(37)16-19-40(41)45(39)35-21-27-20-28(23-35)24-36(45)22-27/h1-19,25-28,35-36H,20-24H2
InChIKeyHOFKHDTULMKWCZ-UHFFFAOYSA-N
MW617.80 g/mol
LogP10.90
Rot. Bonds3

About 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine (PubChem CID 167353943) has the molecular formula C45H35N3 and a molecular weight of 617.80 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine
PubChem CID167353943
Molecular FormulaC45H35N3
Molecular Weight617.80 g/mol
Exact Mass617.28
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3c(ccc5ccccc35)C43C4CC5CC(C4)CC3C5)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C45H35N3/c1-2-10-31(11-3-1)42-46-43(33-15-14-29-8-4-5-12-32(29)25-33)48-44(47-42)34-17-18-39-38(26-34)41-37-13-7-6-9-30(37)16-19-40(41)45(39)35-21-27-20-28(23-35)24-36(45)22-27/h1-19,25-28,35-36H,20-24H2
InChIKeyHOFKHDTULMKWCZ-UHFFFAOYSA-N
XLogP10.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.80
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine 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

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine
CID 167353704
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine
CID 167353705
2,4-diphenyl-6-[2-(4-spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylphenyl)phenyl]-1,3,5-triazine
CID 167353864
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine
CID 167353660
2,4-diphenyl-6-[3-(3-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)phenyl]-1,3,5-triazine
CID 167353965
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine
CID 167353503
3-[4-(9,9-dimethyl-7-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-ylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 167353852
2,4-diphenyl-6-spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-yl-1,3,5-triazine
CID 167353589
2-[3-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819047
2-dibenzofuran-1-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-yl-1,3,5-triazine
CID 167353781
2,4-diphenyl-6-spiro[24-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene-9,2'-adamantane]-6-yl-1,3,5-triazine
CID 168834615
2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[adamantane-2,11'-benzo[a]fluorene]-6'-ylnaphthalen-2-yl)-1,3,5-triazine
CID 167353889

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine (CID 167353943) is 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)-c3c(ccc5ccccc35)C43C4CC5CC(C4)CC3C5)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine?
The InChIKey is HOFKHDTULMKWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N3/c1-2-10-31(11-3-1)42-46-43(33-15-14-29-8-4-5-12-32(29)25-33)48-44(47-42)34-17-18-39-38(26-34)41-37-13-7-6-9-30(37)16-19-40(41)45(39)35-21-27-20-28(23-35)24-36(45)22-27/h1-19,25-28,35-36H,20-24H2.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine?
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine has a molecular weight of 617.80 g/mol, XLogP of 10.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine is sourced from PubChem (CID 167353943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).