N-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine

C52H38N4S — CID 165108156

IUPACN-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3cccc(C5=NC(c6ccccc6)=NC(c6cccc7ccccc67)N5)c34)cc21
InChIInChI=1S/C52H38N4S/c1-52(2)44-25-12-11-22-39(44)40-29-27-36(31-45(40)52)56(35-19-7-4-8-20-35)37-28-30-42-47(32-37)57-46-26-14-24-43(48(42)46)51-54-49(34-16-5-3-6-17-34)53-50(55-51)41-23-13-18-33-15-9-10-21-38(33)41/h3-32,50H,1-2H3,(H,53,54,55)
InChIKeyZMOCLBHJQNSOSK-UHFFFAOYSA-N
MW750.97 g/mol
LogP13.48
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine

N-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine (PubChem CID 165108156) has the molecular formula C52H38N4S and a molecular weight of 750.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine
PubChem CID165108156
Molecular FormulaC52H38N4S
Molecular Weight750.97 g/mol
Exact Mass750.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3cccc(C5=NC(c6ccccc6)=NC(c6cccc7ccccc67)N5)c34)cc21
InChIInChI=1S/C52H38N4S/c1-52(2)44-25-12-11-22-39(44)40-29-27-36(31-45(40)52)56(35-19-7-4-8-20-35)37-28-30-42-47(32-37)57-46-26-14-24-43(48(42)46)51-54-49(34-16-5-3-6-17-34)53-50(55-51)41-23-13-18-33-15-9-10-21-38(33)41/h3-32,50H,1-2H3,(H,53,54,55)
InChIKeyZMOCLBHJQNSOSK-UHFFFAOYSA-N
XLogP13.48
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.97
LogP ≤ 513.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine 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

N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazinan-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164971977
9-(4-naphthalen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 163683449
N-[3-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)dibenzothiophen-3-amine
CID 176630470
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)dibenzothiophen-3-amine
CID 168807446
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170042861
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 172508899
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-2-amine
CID 170042923
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043418
N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-(3-phenylphenyl)-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 157396609
N-(4-chrysen-6-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-amine
CID 170675872
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine (CID 165108156) is N-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)sc3cccc(C5=NC(c6ccccc6)=NC(c6cccc7ccccc67)N5)c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine?
The InChIKey is ZMOCLBHJQNSOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4S/c1-52(2)44-25-12-11-22-39(44)40-29-27-36(31-45(40)52)56(35-19-7-4-8-20-35)37-28-30-42-47(32-37)57-46-26-14-24-43(48(42)46)51-54-49(34-16-5-3-6-17-34)53-50(55-51)41-23-13-18-33-15-9-10-21-38(33)41/h3-32,50H,1-2H3,(H,53,54,55).
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine?
N-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine has a molecular weight of 750.97 g/mol, XLogP of 13.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine is sourced from PubChem (CID 165108156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).