9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine

C49H26F9N — CID 162503025

IUPAC9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(N3c4ccccc4C(c4ccc(-c5ccccc5)cc4)(c4ccc(-c5ccccc5)cc4)c4ccccc43)c(F)c2F)c(F)c1F
InChIInChI=1S/C49H26F9N/c50-39-37(40(51)44(55)45(56)43(39)54)38-41(52)46(57)48(47(58)42(38)53)59-35-17-9-7-15-33(35)49(34-16-8-10-18-36(34)59,31-23-19-29(20-24-31)27-11-3-1-4-12-27)32-25-21-30(22-26-32)28-13-5-2-6-14-28/h1-26H
InChIKeyDCCZMHAOWWCALP-UHFFFAOYSA-N
MW799.74 g/mol
LogP14.11
Rot. Bonds6

About 9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine

9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine (PubChem CID 162503025) has the molecular formula C49H26F9N and a molecular weight of 799.74 g/mol. Its IUPAC name is 9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine.

Molecular Properties

Compound Name9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine
PubChem CID162503025
Molecular FormulaC49H26F9N
Molecular Weight799.74 g/mol
Exact Mass799.19
IUPAC Name9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine
SMILESFc1c(F)c(F)c(-c2c(F)c(F)c(N3c4ccccc4C(c4ccc(-c5ccccc5)cc4)(c4ccc(-c5ccccc5)cc4)c4ccccc43)c(F)c2F)c(F)c1F
InChIInChI=1S/C49H26F9N/c50-39-37(40(51)44(55)45(56)43(39)54)38-41(52)46(57)48(47(58)42(38)53)59-35-17-9-7-15-33(35)49(34-16-8-10-18-36(34)59,31-23-19-29(20-24-31)27-11-3-1-4-12-27)32-25-21-30(22-26-32)28-13-5-2-6-14-28/h1-26H
InChIKeyDCCZMHAOWWCALP-UHFFFAOYSA-N
XLogP14.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.74
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine 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-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine
CID 135130813
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
4,8,8,14,14,18-hexakis-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 140932144
10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine
CID 135131131
10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]-9H-acridine
CID 162503001
10-[4-[4-[9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridin-10-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9,9-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)acridine
CID 162502997
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene
CID 102031632
2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine
CID 168750131
3,10-bis[4-(9,9-diphenylacridin-10-yl)phenyl]-14-phenyl-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaene
CID 130399490
N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine?
The IUPAC name of 9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine (CID 162503025) is 9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine.
What is the SMILES notation for 9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine?
The canonical SMILES for 9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine is Fc1c(F)c(F)c(-c2c(F)c(F)c(N3c4ccccc4C(c4ccc(-c5ccccc5)cc4)(c4ccc(-c5ccccc5)cc4)c4ccccc43)c(F)c2F)c(F)c1F.
What is the InChIKey of 9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine?
The InChIKey is DCCZMHAOWWCALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H26F9N/c50-39-37(40(51)44(55)45(56)43(39)54)38-41(52)46(57)48(47(58)42(38)53)59-35-17-9-7-15-33(35)49(34-16-8-10-18-36(34)59,31-23-19-29(20-24-31)27-11-3-1-4-12-27)32-25-21-30(22-26-32)28-13-5-2-6-14-28/h1-26H.
What are the key properties of 9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine?
9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine has a molecular weight of 799.74 g/mol, XLogP of 14.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-phenylphenyl)-10-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]acridine is sourced from PubChem (CID 162503025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).