7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine

C41H29NS — CID 158075221

IUPAC7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine
SMILESCC1(C)c2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C41H29NS/c1-41(2)36-22-21-34-33-13-7-8-14-38(33)43-40(34)39(36)35-20-19-32(25-37(35)41)42(30-17-15-26-9-3-5-11-28(26)23-30)31-18-16-27-10-4-6-12-29(27)24-31/h3-25H,1-2H3
InChIKeyHCCAXZIAISYPIH-UHFFFAOYSA-N
MW567.76 g/mol
LogP12.14
Rot. Bonds3

About 7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine

7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine (PubChem CID 158075221) has the molecular formula C41H29NS and a molecular weight of 567.76 g/mol. Its IUPAC name is 7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine.

Molecular Properties

Compound Name7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine
PubChem CID158075221
Molecular FormulaC41H29NS
Molecular Weight567.76 g/mol
Exact Mass567.20
IUPAC Name7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine
SMILESCC1(C)c2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C41H29NS/c1-41(2)36-22-21-34-33-13-7-8-14-38(33)43-40(34)39(36)35-20-19-32(25-37(35)41)42(30-17-15-26-9-3-5-11-28(26)23-30)31-18-16-27-10-4-6-12-29(27)24-31/h3-25H,1-2H3
InChIKeyHCCAXZIAISYPIH-UHFFFAOYSA-N
XLogP12.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.76
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine
CID 118405241
12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine
CID 146491208
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-triphenylen-2-ylfluoreno[4,3-b][1]benzothiol-10-amine
CID 118405309
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine
CID 177079863
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzothiol-10-amine
CID 118487076
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277767
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405183
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]-2-amine
CID 130266206
N-dibenzothiophen-2-yl-9,9,10,10-tetramethyl-N-phenyl-25-thiahexacyclo[12.11.0.02,11.03,8.015,24.016,21]pentacosa-1(14),2(11),3(8),4,6,12,15(24),16,18,20,22-undecaen-6-amine
CID 163740161
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluoreno[4,3-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]-10'-amine
CID 130463220
7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine
CID 118405294

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine?
The IUPAC name of 7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine (CID 158075221) is 7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine.
What is the SMILES notation for 7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine?
The canonical SMILES for 7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine is CC1(C)c2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2-c2c1ccc1c2sc2ccccc21.
What is the InChIKey of 7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine?
The InChIKey is HCCAXZIAISYPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29NS/c1-41(2)36-22-21-34-33-13-7-8-14-38(33)43-40(34)39(36)35-20-19-32(25-37(35)41)42(30-17-15-26-9-3-5-11-28(26)23-30)31-18-16-27-10-4-6-12-29(27)24-31/h3-25H,1-2H3.
What are the key properties of 7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine?
7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine has a molecular weight of 567.76 g/mol, XLogP of 12.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N,N-dinaphthalen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine is sourced from PubChem (CID 158075221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).