N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine

C46H39NS — CID 166820063

IUPACN-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine
SMILESCC1C=CC=CC1c1cccc(N(C2=CC=C(c3cccc4sc5ccccc5c34)CC2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1
InChIInChI=1S/C46H39NS/c1-30-12-4-5-15-36(30)32-13-10-14-34(28-32)47(35-26-27-39-38-16-6-8-19-41(38)46(2,3)42(39)29-35)33-24-22-31(23-25-33)37-18-11-21-44-45(37)40-17-7-9-20-43(40)48-44/h4-22,24,26-30,36H,23,25H2,1-3H3
InChIKeyAABVUKUGDVFPPU-UHFFFAOYSA-N
MW637.89 g/mol
LogP13.11
Rot. Bonds5

About N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine

N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine (PubChem CID 166820063) has the molecular formula C46H39NS and a molecular weight of 637.89 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine
PubChem CID166820063
Molecular FormulaC46H39NS
Molecular Weight637.89 g/mol
Exact Mass637.28
IUPAC NameN-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine
SMILESCC1C=CC=CC1c1cccc(N(C2=CC=C(c3cccc4sc5ccccc5c34)CC2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1
InChIInChI=1S/C46H39NS/c1-30-12-4-5-15-36(30)32-13-10-14-34(28-32)47(35-26-27-39-38-16-6-8-19-41(38)46(2,3)42(39)29-35)33-24-22-31(23-25-33)37-18-11-21-44-45(37)40-17-7-9-20-43(40)48-44/h4-22,24,26-30,36H,23,25H2,1-3H3
InChIKeyAABVUKUGDVFPPU-UHFFFAOYSA-N
XLogP13.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.89
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine
CID 146295016
N-(9,9-dimethylfluoren-3-yl)-N-(4-naphtho[2,1-b][1]benzothiol-9-ylcyclohexa-1,3-dien-1-yl)dibenzothiophen-3-amine
CID 170044099
N-(4-dibenzothiophen-3-ylcyclohexa-1,3-dien-1-yl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 156827482
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155222794
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217420
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
N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 144623792
9,9-dimethyl-N-(3-phenylphenyl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]fluoren-2-amine
CID 177280990
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 160633282
N,N-bis(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043531
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168839586

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine (CID 166820063) is N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine is CC1C=CC=CC1c1cccc(N(C2=CC=C(c3cccc4sc5ccccc5c34)CC2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1.
What is the InChIKey of N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine?
The InChIKey is AABVUKUGDVFPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39NS/c1-30-12-4-5-15-36(30)32-13-10-14-34(28-32)47(35-26-27-39-38-16-6-8-19-41(38)46(2,3)42(39)29-35)33-24-22-31(23-25-33)37-18-11-21-44-45(37)40-17-7-9-20-43(40)48-44/h4-22,24,26-30,36H,23,25H2,1-3H3.
What are the key properties of N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine?
N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine has a molecular weight of 637.89 g/mol, XLogP of 13.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 166820063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).