9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine

C47H33NS — CID 177079863

IUPAC9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c6ccccc6sc54)cc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C47H33NS/c1-47(2)43-16-7-5-12-38(43)39-25-24-35(29-44(39)47)48(34-23-18-30-10-3-4-11-32(30)28-34)33-21-19-31(20-22-33)36-14-9-15-41-37(36)26-27-42-40-13-6-8-17-45(40)49-46(41)42/h3-29H,1-2H3
InChIKeyBPGFWZWCRPJTMS-UHFFFAOYSA-N
MW643.86 g/mol
LogP13.80
Rot. Bonds4

About 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine

9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine (PubChem CID 177079863) has the molecular formula C47H33NS and a molecular weight of 643.86 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine
PubChem CID177079863
Molecular FormulaC47H33NS
Molecular Weight643.86 g/mol
Exact Mass643.23
IUPAC Name9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c6ccccc6sc54)cc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C47H33NS/c1-47(2)43-16-7-5-12-38(43)39-25-24-35(29-44(39)47)48(34-23-18-30-10-3-4-11-32(30)28-34)33-21-19-31(20-22-33)36-14-9-15-41-37(36)26-27-42-40-13-6-8-17-45(40)49-46(41)42/h3-29H,1-2H3
InChIKeyBPGFWZWCRPJTMS-UHFFFAOYSA-N
XLogP13.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.86
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-naphthalen-2-yl-N-[4-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 176588375
12,12-dimethyl-N-naphthalen-2-yl-N-phenylfluoreno[1,2-b][1]benzothiol-2-amine
CID 146491208
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043418
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)dibenzothiophen-2-amine
CID 140919142
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277767
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
N-[4-(10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146647899
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939643
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-2-amine
CID 170042923
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323779
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043365

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine (CID 177079863) is 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c6ccccc6sc54)cc3)c3ccc4ccccc4c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine?
The InChIKey is BPGFWZWCRPJTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NS/c1-47(2)43-16-7-5-12-38(43)39-25-24-35(29-44(39)47)48(34-23-18-30-10-3-4-11-32(30)28-34)33-21-19-31(20-22-33)36-14-9-15-41-37(36)26-27-42-40-13-6-8-17-45(40)49-46(41)42/h3-29H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine?
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine has a molecular weight of 643.86 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 177079863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).