N-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine

C52H45NS — CID 169030144

IUPACN-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESCC1(C)CC(C)(C)c2cc3c(cc21)-c1ccc(N(c2ccc4c(c2)sc2ccccc24)c2ccccc2-c2ccc(-c4ccccc4)cc2)cc1C3(C)C
InChIInChI=1S/C52H45NS/c1-50(2)32-51(3,4)46-31-44-42(30-45(46)50)39-26-24-36(28-43(39)52(44,5)6)53(37-25-27-41-40-17-11-13-19-48(40)54-49(41)29-37)47-18-12-10-16-38(47)35-22-20-34(21-23-35)33-14-8-7-9-15-33/h7-31H,32H2,1-6H3
InChIKeyDYSGBWUSAWMEED-UHFFFAOYSA-N
MW716.01 g/mol
LogP15.12
Rot. Bonds5

About N-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine

N-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 169030144) has the molecular formula C52H45NS and a molecular weight of 716.01 g/mol. Its IUPAC name is N-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
PubChem CID169030144
Molecular FormulaC52H45NS
Molecular Weight716.01 g/mol
Exact Mass715.33
IUPAC NameN-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESCC1(C)CC(C)(C)c2cc3c(cc21)-c1ccc(N(c2ccc4c(c2)sc2ccccc24)c2ccccc2-c2ccc(-c4ccccc4)cc2)cc1C3(C)C
InChIInChI=1S/C52H45NS/c1-50(2)32-51(3,4)46-31-44-42(30-45(46)50)39-26-24-36(28-43(39)52(44,5)6)53(37-25-27-41-40-17-11-13-19-48(40)54-49(41)29-37)47-18-12-10-16-38(47)35-22-20-34(21-23-35)33-14-8-7-9-15-33/h7-31H,32H2,1-6H3
InChIKeyDYSGBWUSAWMEED-UHFFFAOYSA-N
XLogP15.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.01
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]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-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine
CID 167268419
N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463495
N-[4-[7-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164724672
N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321713
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463375
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 70808776
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzothiol-9-amine
CID 171401642
7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 158900066
N,N-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenylaniline;N-[3-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline;N-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 159815958
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
9,9-dimethyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919088

Frequently Asked Questions

What is the IUPAC name of N-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine (CID 169030144) is N-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine is CC1(C)CC(C)(C)c2cc3c(cc21)-c1ccc(N(c2ccc4c(c2)sc2ccccc24)c2ccccc2-c2ccc(-c4ccccc4)cc2)cc1C3(C)C.
What is the InChIKey of N-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is DYSGBWUSAWMEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H45NS/c1-50(2)32-51(3,4)46-31-44-42(30-45(46)50)39-26-24-36(28-43(39)52(44,5)6)53(37-25-27-41-40-17-11-13-19-48(40)54-49(41)29-37)47-18-12-10-16-38(47)35-22-20-34(21-23-35)33-14-8-7-9-15-33/h7-31H,32H2,1-6H3.
What are the key properties of N-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine?
N-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine has a molecular weight of 716.01 g/mol, XLogP of 15.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 169030144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).