N,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline

C50H34N4S — CID 122593926

IUPACN,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4nnc(-c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c5)s4)cc3)c2)cc1
InChIInChI=1S/C50H34N4S/c1-4-14-35(15-5-1)38-18-12-22-43(32-38)53(41-20-8-3-9-21-41)42-29-26-37(27-30-42)49-51-52-50(55-49)40-28-31-46-45-24-10-11-25-47(45)54(48(46)34-40)44-23-13-19-39(33-44)36-16-6-2-7-17-36/h1-34H
InChIKeyLRTOHQVINFUPSI-UHFFFAOYSA-N
MW722.92 g/mol
LogP13.77
Rot. Bonds8

About N,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline

N,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline (PubChem CID 122593926) has the molecular formula C50H34N4S and a molecular weight of 722.92 g/mol. Its IUPAC name is N,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline.

Molecular Properties

Compound NameN,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline
PubChem CID122593926
Molecular FormulaC50H34N4S
Molecular Weight722.92 g/mol
Exact Mass722.25
IUPAC NameN,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4nnc(-c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c5)s4)cc3)c2)cc1
InChIInChI=1S/C50H34N4S/c1-4-14-35(15-5-1)38-18-12-22-43(32-38)53(41-20-8-3-9-21-41)42-29-26-37(27-30-42)49-51-52-50(55-49)40-28-31-46-45-24-10-11-25-47(45)54(48(46)34-40)44-23-13-19-39(33-44)36-16-6-2-7-17-36/h1-34H
InChIKeyLRTOHQVINFUPSI-UHFFFAOYSA-N
XLogP13.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.92
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diphenyl-3-[3-(2-phenylcarbazol-9-yl)phenyl]aniline
CID 121312804
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158440650
3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 126631662
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[3-[3-[2-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]carbazol-2-amine
CID 158451269
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;N-phenyl-3-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159658114
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159462354
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 71038437
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086981

Frequently Asked Questions

What is the IUPAC name of N,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline?
The IUPAC name of N,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline (CID 122593926) is N,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline.
What is the SMILES notation for N,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline?
The canonical SMILES for N,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline is c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4nnc(-c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c5)s4)cc3)c2)cc1.
What is the InChIKey of N,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline?
The InChIKey is LRTOHQVINFUPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4S/c1-4-14-35(15-5-1)38-18-12-22-43(32-38)53(41-20-8-3-9-21-41)42-29-26-37(27-30-42)49-51-52-50(55-49)40-28-31-46-45-24-10-11-25-47(45)54(48(46)34-40)44-23-13-19-39(33-44)36-16-6-2-7-17-36/h1-34H.
What are the key properties of N,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline?
N,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline has a molecular weight of 722.92 g/mol, XLogP of 13.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diphenyl-N-[4-[5-[9-(3-phenylphenyl)carbazol-2-yl]-1,3,4-thiadiazol-2-yl]phenyl]aniline is sourced from PubChem (CID 122593926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).