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

C58H46N4S — CID 164971977

IUPACN-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazinan-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3cccc(C5NC(c6ccccc6)NC(c6cccc7ccccc67)N5)c34)cc21
InChIInChI=1S/C58H46N4S/c1-58(2)50-25-12-11-22-45(50)46-33-31-42(35-51(46)58)62(41-29-27-38(28-30-41)37-15-5-3-6-16-37)43-32-34-48-53(36-43)63-52-26-14-24-49(54(48)52)57-60-55(40-18-7-4-8-19-40)59-56(61-57)47-23-13-20-39-17-9-10-21-44(39)47/h3-36,55-57,59-61H,1-2H3
InChIKeyFLQSAMHZXFLPRT-UHFFFAOYSA-N
MW831.10 g/mol
LogP14.83
Rot. Bonds7

About 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

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 (PubChem CID 164971977) has the molecular formula C58H46N4S and a molecular weight of 831.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazinan-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
PubChem CID164971977
Molecular FormulaC58H46N4S
Molecular Weight831.10 g/mol
Exact Mass830.34
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazinan-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3cccc(C5NC(c6ccccc6)NC(c6cccc7ccccc67)N5)c34)cc21
InChIInChI=1S/C58H46N4S/c1-58(2)50-25-12-11-22-45(50)46-33-31-42(35-51(46)58)62(41-29-27-38(28-30-41)37-15-5-3-6-16-37)43-32-34-48-53(36-43)63-52-26-14-24-49(54(48)52)57-60-55(40-18-7-4-8-19-40)59-56(61-57)47-23-13-20-39-17-9-10-21-44(39)47/h3-36,55-57,59-61H,1-2H3
InChIKeyFLQSAMHZXFLPRT-UHFFFAOYSA-N
XLogP14.83
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.10
LogP ≤ 514.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 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-[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)-9-(2-naphthalen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-N-phenyldibenzothiophen-3-amine
CID 165108156
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 172508899
6-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 176844498
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)-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)dibenzothiophen-3-amine
CID 168807446
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-2-amine
CID 170042923
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043365
N-(4-chrysen-6-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-amine
CID 170675872
9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118368668

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3cccc(C5NC(c6ccccc6)NC(c6cccc7ccccc67)N5)c34)cc21.
What is the InChIKey of 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?
The InChIKey is FLQSAMHZXFLPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N4S/c1-58(2)50-25-12-11-22-45(50)46-33-31-42(35-51(46)58)62(41-29-27-38(28-30-41)37-15-5-3-6-16-37)43-32-34-48-53(36-43)63-52-26-14-24-49(54(48)52)57-60-55(40-18-7-4-8-19-40)59-56(61-57)47-23-13-20-39-17-9-10-21-44(39)47/h3-36,55-57,59-61H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 831.10 g/mol, XLogP of 14.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164971977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).