9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine

C43H31NS — CID 177122158

IUPAC9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)cccc21
InChIInChI=1S/C43H31NS/c1-43(2)37-19-9-8-16-36(37)40-38(43)20-11-21-39(40)44(30-13-4-3-5-14-30)31-25-22-29(23-26-31)33-17-10-18-34-35-27-24-28-12-6-7-15-32(28)42(35)45-41(33)34/h3-27H,1-2H3
InChIKeyFNXGJKZZCZNSPZ-UHFFFAOYSA-N
MW593.80 g/mol
LogP12.65
Rot. Bonds4

About 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine

9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine (PubChem CID 177122158) has the molecular formula C43H31NS and a molecular weight of 593.80 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine
PubChem CID177122158
Molecular FormulaC43H31NS
Molecular Weight593.80 g/mol
Exact Mass593.22
IUPAC Name9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)cccc21
InChIInChI=1S/C43H31NS/c1-43(2)37-19-9-8-16-36(37)40-38(43)20-11-21-39(40)44(30-13-4-3-5-14-30)31-25-22-29(23-26-31)33-17-10-18-34-35-27-24-28-12-6-7-15-32(28)42(35)45-41(33)34/h3-27H,1-2H3
InChIKeyFNXGJKZZCZNSPZ-UHFFFAOYSA-N
XLogP12.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.80
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-3-amine
CID 177122205
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenylaniline
CID 150090867
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167184501
N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-4-amine
CID 177121372
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine
CID 177121517
N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405183
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170139291
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 170139279
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177122214
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine (CID 177122158) is 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine?
The InChIKey is FNXGJKZZCZNSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NS/c1-43(2)37-19-9-8-16-36(37)40-38(43)20-11-21-39(40)44(30-13-4-3-5-14-30)31-25-22-29(23-26-31)33-17-10-18-34-35-27-24-28-12-6-7-15-32(28)42(35)45-41(33)34/h3-27H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine?
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine has a molecular weight of 593.80 g/mol, XLogP of 12.65, 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-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-N-phenylfluoren-4-amine is sourced from PubChem (CID 177122158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).