N-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C58H41NS — CID 146360315

IUPACN-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)C4=C5Sc5ccccc5C4c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C58H41NS/c1-5-15-40(16-6-1)42-25-32-48(33-26-42)59(49-34-27-43(28-35-49)41-17-7-2-8-18-41)50-36-29-44(30-37-50)47-31-38-51-53(39-47)56(46-21-11-4-12-22-46)57-55(45-19-9-3-10-20-45)52-23-13-14-24-54(52)60-58(51)57/h1-39,55-56H
InChIKeyRTVORGJUYFHBAA-UHFFFAOYSA-N
MW784.04 g/mol
LogP15.95
Rot. Bonds8

About N-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 146360315) has the molecular formula C58H41NS and a molecular weight of 784.04 g/mol. Its IUPAC name is N-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID146360315
Molecular FormulaC58H41NS
Molecular Weight784.04 g/mol
Exact Mass783.30
IUPAC NameN-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)C4=C5Sc5ccccc5C4c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C58H41NS/c1-5-15-40(16-6-1)42-25-32-48(33-26-42)59(49-34-27-43(28-35-49)41-17-7-2-8-18-41)50-36-29-44(30-37-50)47-31-38-51-53(39-47)56(46-21-11-4-12-22-46)57-55(45-19-9-3-10-20-45)52-23-13-14-24-54(52)60-58(51)57/h1-39,55-56H
InChIKeyRTVORGJUYFHBAA-UHFFFAOYSA-N
XLogP15.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.04
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine
CID 129265016
9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine
CID 144639598
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline
CID 145060230
N,9-diphenyl-N-[3-[2-[3-(N-(9-phenyl-9H-fluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9H-fluoren-2-amine
CID 129061482
N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline
CID 129256095
4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118314823
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469

Frequently Asked Questions

What is the IUPAC name of N-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 146360315) is N-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)C4=C5Sc5ccccc5C4c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is RTVORGJUYFHBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NS/c1-5-15-40(16-6-1)42-25-32-48(33-26-42)59(49-34-27-43(28-35-49)41-17-7-2-8-18-41)50-36-29-44(30-37-50)47-31-38-51-53(39-47)56(46-21-11-4-12-22-46)57-55(45-19-9-3-10-20-45)52-23-13-14-24-54(52)60-58(51)57/h1-39,55-56H.
What are the key properties of N-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 784.04 g/mol, XLogP of 15.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10,11-diphenyl-10,11-dihydroindeno[1,2-b]thiochromen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 146360315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).