12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine

C37H27NS — CID 146491208

IUPAC12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2ccc3c(sc4ccccc43)c21
InChIInChI=1S/C37H27NS/c1-37(2)33-23-28(38(26-12-4-3-5-13-26)27-17-16-24-10-6-7-11-25(24)22-27)18-19-29(33)31-20-21-32-30-14-8-9-15-34(30)39-36(32)35(31)37/h3-23H,1-2H3
InChIKeyNRCINCCWTSODRF-UHFFFAOYSA-N
MW517.70 g/mol
LogP10.98
Rot. Bonds3

About 12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine

12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine (PubChem CID 146491208) has the molecular formula C37H27NS and a molecular weight of 517.70 g/mol. Its IUPAC name is 12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine.

Molecular Properties

Compound Name12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine
PubChem CID146491208
Molecular FormulaC37H27NS
Molecular Weight517.70 g/mol
Exact Mass517.19
IUPAC Name12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2ccc3c(sc4ccccc43)c21
InChIInChI=1S/C37H27NS/c1-37(2)33-23-28(38(26-12-4-3-5-13-26)27-17-16-24-10-6-7-11-25(24)22-27)18-19-29(33)31-20-21-32-30-14-8-9-15-34(30)39-36(32)35(31)37/h3-23H,1-2H3
InChIKeyNRCINCCWTSODRF-UHFFFAOYSA-N
XLogP10.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.70
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine
CID 177079863
7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine
CID 158075221
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
11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine
CID 160909742
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[2,3-b][1]benzothiol-9-amine
CID 146437002
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277767
N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-12,12-dimethylfluoreno[1,2-b][1]benzothiol-2-amine
CID 170543273
12,12-dimethyl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoreno[1,2-b][1]benzothiole
CID 122426915
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
9-dibenzothiophen-2-yl-N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-phenylcarbazol-2-amine
CID 118333375
N-[3-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 156550210

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine?
The IUPAC name of 12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine (CID 146491208) is 12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine.
What is the SMILES notation for 12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine?
The canonical SMILES for 12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2ccc3c(sc4ccccc43)c21.
What is the InChIKey of 12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine?
The InChIKey is NRCINCCWTSODRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NS/c1-37(2)33-23-28(38(26-12-4-3-5-13-26)27-17-16-24-10-6-7-11-25(24)22-27)18-19-29(33)31-20-21-32-30-14-8-9-15-34(30)39-36(32)35(31)37/h3-23H,1-2H3.
What are the key properties of 12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine?
12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine has a molecular weight of 517.70 g/mol, XLogP of 10.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine is sourced from PubChem (CID 146491208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).