10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]

C64H44N4 — CID 137217473

IUPAC10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2ccc(C3=NC(c4cccc(-c5ccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7N(c7ccccc7)c7ccccc76)cc5)c4)=NC(c4ccccc4)N3)cc2)cc1
InChIInChI=1S/C64H44N4/c1-4-17-43(18-5-1)44-35-37-48(38-36-44)62-65-61(47-19-6-2-7-20-47)66-63(67-62)51-22-16-21-49(41-51)45-31-33-46(34-32-45)50-39-40-56-54(42-50)53-25-10-11-26-55(53)64(56)57-27-12-14-29-59(57)68(52-23-8-3-9-24-52)60-30-15-13-28-58(60)64/h1-42,61H,(H,65,66,67)
InChIKeyHSLDTCVTJZXHOZ-UHFFFAOYSA-N
MW869.08 g/mol
LogP15.33
Rot. Bonds7

About 10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]

10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 137217473) has the molecular formula C64H44N4 and a molecular weight of 869.08 g/mol. Its IUPAC name is 10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
PubChem CID137217473
Molecular FormulaC64H44N4
Molecular Weight869.08 g/mol
Exact Mass868.36
IUPAC Name10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2ccc(C3=NC(c4cccc(-c5ccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7N(c7ccccc7)c7ccccc76)cc5)c4)=NC(c4ccccc4)N3)cc2)cc1
InChIInChI=1S/C64H44N4/c1-4-17-43(18-5-1)44-35-37-48(38-36-44)62-65-61(47-19-6-2-7-20-47)66-63(67-62)51-22-16-21-49(41-51)45-31-33-46(34-32-45)50-39-40-56-54(42-50)53-25-10-11-26-55(53)64(56)57-27-12-14-29-59(57)68(52-23-8-3-9-24-52)60-30-15-13-28-58(60)64/h1-42,61H,(H,65,66,67)
InChIKeyHSLDTCVTJZXHOZ-UHFFFAOYSA-N
XLogP15.33
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.08
LogP ≤ 515.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] 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

10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217476
6-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-4-triphenylen-2-yl-1,2-dihydro-1,3,5-triazine
CID 174243644
10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263303
2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263708
2-phenyl-4-(4-phenylphenyl)-6-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,5-triazine
CID 88890940
2'-[3-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263428
10-phenyl-2'-[3-[2-[4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidin-6-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263445
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426
2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263672
10-phenyl-2'-[3-[4-phenyl-2-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263663
4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 174245608
5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 136941858

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] (CID 137217473) is 10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] is c1ccc(-c2ccc(C3=NC(c4cccc(-c5ccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7N(c7ccccc7)c7ccccc76)cc5)c4)=NC(c4ccccc4)N3)cc2)cc1.
What is the InChIKey of 10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?
The InChIKey is HSLDTCVTJZXHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4/c1-4-17-43(18-5-1)44-35-37-48(38-36-44)62-65-61(47-19-6-2-7-20-47)66-63(67-62)51-22-16-21-49(41-51)45-31-33-46(34-32-45)50-39-40-56-54(42-50)53-25-10-11-26-55(53)64(56)57-27-12-14-29-59(57)68(52-23-8-3-9-24-52)60-30-15-13-28-58(60)64/h1-42,61H,(H,65,66,67).
What are the key properties of 10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]?
10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 869.08 g/mol, XLogP of 15.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 137217473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).