N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine

C63H41NS — CID 169285143

IUPACN-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6sc7ccc8ccccc8c7c6c5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c23)cc1
InChIInChI=1S/C63H41NS/c1-4-17-42(18-5-1)50-28-14-20-45-21-15-29-51(60(45)50)44-33-36-48(37-34-44)64(49-38-40-58-54(41-49)61-52-26-11-10-19-43(52)35-39-59(61)65-58)57-32-16-31-56-62(57)53-27-12-13-30-55(53)63(56,46-22-6-2-7-23-46)47-24-8-3-9-25-47/h1-41H
InChIKeyJPOJCSQMLIRRLF-UHFFFAOYSA-N
MW844.10 g/mol
LogP17.53
Rot. Bonds7

About N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine

N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine (PubChem CID 169285143) has the molecular formula C63H41NS and a molecular weight of 844.10 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine
PubChem CID169285143
Molecular FormulaC63H41NS
Molecular Weight844.10 g/mol
Exact Mass843.30
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6sc7ccc8ccccc8c7c6c5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c23)cc1
InChIInChI=1S/C63H41NS/c1-4-17-42(18-5-1)50-28-14-20-45-21-15-29-51(60(45)50)44-33-36-48(37-34-44)64(49-38-40-58-54(41-49)61-52-26-11-10-19-43(52)35-39-59(61)65-58)57-32-16-31-56-62(57)53-27-12-13-30-55(53)63(56,46-22-6-2-7-23-46)47-24-8-3-9-25-47/h1-41H
InChIKeyJPOJCSQMLIRRLF-UHFFFAOYSA-N
XLogP17.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.10
LogP ≤ 517.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767241
N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170302327
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 172545021
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
N-(9,9-diphenylfluoren-4-yl)-N-[4-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophen-1-amine
CID 172544772
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355192
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517
N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
CID 164956471
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 172544905
2-dibenzothiophen-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326123

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine (CID 169285143) is N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6sc7ccc8ccccc8c7c6c5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine?
The InChIKey is JPOJCSQMLIRRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41NS/c1-4-17-42(18-5-1)50-28-14-20-45-21-15-29-51(60(45)50)44-33-36-48(37-34-44)64(49-38-40-58-54(41-49)61-52-26-11-10-19-43(52)35-39-59(61)65-58)57-32-16-31-56-62(57)53-27-12-13-30-55(53)63(56,46-22-6-2-7-23-46)47-24-8-3-9-25-47/h1-41H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine?
N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine has a molecular weight of 844.10 g/mol, XLogP of 17.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine is sourced from PubChem (CID 169285143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).