N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine

C43H29NS2 — CID 170044096

IUPACN-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3sc3ccc5ccccc5c34)ccc21
InChIInChI=1S/C43H29NS2/c1-43(2)35-15-7-5-12-30(35)34-24-27(20-22-36(34)43)44(28-19-21-32-31-13-6-8-17-38(31)45-40(32)25-28)37-16-9-14-33-41-29-11-4-3-10-26(29)18-23-39(41)46-42(33)37/h3-25H,1-2H3
InChIKeyKAANEZQSOWDITG-UHFFFAOYSA-N
MW623.85 g/mol
LogP13.35
Rot. Bonds3

About N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine

N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine (PubChem CID 170044096) has the molecular formula C43H29NS2 and a molecular weight of 623.85 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine
PubChem CID170044096
Molecular FormulaC43H29NS2
Molecular Weight623.85 g/mol
Exact Mass623.17
IUPAC NameN-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3sc3ccc5ccccc5c34)ccc21
InChIInChI=1S/C43H29NS2/c1-43(2)35-15-7-5-12-30(35)34-24-27(20-22-36(34)43)44(28-19-21-32-31-13-6-8-17-38(31)45-40(32)25-28)37-16-9-14-33-41-29-11-4-3-10-26(29)18-23-39(41)46-42(33)37/h3-25H,1-2H3
InChIKeyKAANEZQSOWDITG-UHFFFAOYSA-N
XLogP13.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.85
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine with MolForge

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Related Compounds

N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-4-amine
CID 170044692
N-chrysen-4-yl-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-amine
CID 170140047
N-(9,9-dimethylfluoren-3-yl)-N-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)dibenzothiophen-3-amine
CID 177100291
N,N-bis(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170043016
N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 170044165
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-chrysen-2-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-3-amine
CID 170139933
N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine
CID 156554191
N-benzo[c]phenanthren-6-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-3-amine
CID 167184479
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-3-amine
CID 170042855
7-bromo-N-(9,9-dimethylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
CID 129194645
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-amine
CID 176583109

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine (CID 170044096) is N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3sc3ccc5ccccc5c34)ccc21.
What is the InChIKey of N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine?
The InChIKey is KAANEZQSOWDITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NS2/c1-43(2)35-15-7-5-12-30(35)34-24-27(20-22-36(34)43)44(28-19-21-32-31-13-6-8-17-38(31)45-40(32)25-28)37-16-9-14-33-41-29-11-4-3-10-26(29)18-23-39(41)46-42(33)37/h3-25H,1-2H3.
What are the key properties of N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine?
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine has a molecular weight of 623.85 g/mol, XLogP of 13.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzothiol-8-amine is sourced from PubChem (CID 170044096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).