N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline

C59H41NS — CID 145272645

IUPACN-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline
SMILESC1=CC2=C(CC1)C(c1ccccc1)(c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)cc1)c1ccccc12
InChIInChI=1S/C59H41NS/c1-3-14-40(15-4-1)41-26-33-46(34-27-41)60(47-35-28-43(29-36-47)50-22-13-23-53-54-39-30-42-16-7-8-19-49(42)58(54)61-57(50)53)48-37-31-45(32-38-48)59(44-17-5-2-6-18-44)55-24-11-9-20-51(55)52-21-10-12-25-56(52)59/h1-11,13-24,26-39H,12,25H2
InChIKeyJLCUNCIZHNKGKP-UHFFFAOYSA-N
MW796.05 g/mol
LogP16.46
Rot. Bonds7

About N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline

N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline (PubChem CID 145272645) has the molecular formula C59H41NS and a molecular weight of 796.05 g/mol. Its IUPAC name is N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline
PubChem CID145272645
Molecular FormulaC59H41NS
Molecular Weight796.05 g/mol
Exact Mass795.30
IUPAC NameN-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline
SMILESC1=CC2=C(CC1)C(c1ccccc1)(c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)cc1)c1ccccc12
InChIInChI=1S/C59H41NS/c1-3-14-40(15-4-1)41-26-33-46(34-27-41)60(47-35-28-43(29-36-47)50-22-13-23-53-54-39-30-42-16-7-8-19-49(42)58(54)61-57(50)53)48-37-31-45(32-38-48)59(44-17-5-2-6-18-44)55-24-11-9-20-51(55)52-21-10-12-25-56(52)59/h1-11,13-24,26-39H,12,25H2
InChIKeyJLCUNCIZHNKGKP-UHFFFAOYSA-N
XLogP16.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.05
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
CID 70822820
N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
CID 177121900
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)dibenzothiophen-4-amine
CID 177121684
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenylaniline
CID 150090867
N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenyl-N-[4-(4-trimethylsilylphenyl)phenyl]fluoren-4-amine
CID 177121372
N-(1-phenylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
CID 156558420
2-(9,9-diphenylfluoren-3-yl)-N-[4-(4-methoxyphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
CID 177121581
N-(4-dibenzothiophen-4-ylphenyl)-4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,N-diphenyl-4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)aniline;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 158602959
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
3,5-diphenyl-N-(4-phenylphenyl)-N-[4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]aniline
CID 130466870
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline
CID 158195164

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline?
The IUPAC name of N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline (CID 145272645) is N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline.
What is the SMILES notation for N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline?
The canonical SMILES for N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline is C1=CC2=C(CC1)C(c1ccccc1)(c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4sc4c6ccccc6ccc54)cc3)cc1)c1ccccc12.
What is the InChIKey of N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline?
The InChIKey is JLCUNCIZHNKGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41NS/c1-3-14-40(15-4-1)41-26-33-46(34-27-41)60(47-35-28-43(29-36-47)50-22-13-23-53-54-39-30-42-16-7-8-19-49(42)58(54)61-57(50)53)48-37-31-45(32-38-48)59(44-17-5-2-6-18-44)55-24-11-9-20-51(55)52-21-10-12-25-56(52)59/h1-11,13-24,26-39H,12,25H2.
What are the key properties of N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline?
N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline has a molecular weight of 796.05 g/mol, XLogP of 16.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 145272645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).