2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole

C50H32N4S — CID 122593896

IUPAC2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c67)s5)cccc43)c2)cc1
InChIInChI=1S/C50H32N4S/c1-3-15-33(16-4-1)35-19-11-21-37(31-35)53-45-29-10-8-24-41(45)47-42(26-14-30-46(47)53)49-51-52-50(55-49)43-27-13-25-40-39-23-7-9-28-44(39)54(48(40)43)38-22-12-20-36(32-38)34-17-5-2-6-18-34/h1-32H
InChIKeyIBLFIXFAVQNHKT-UHFFFAOYSA-N
MW720.90 g/mol
LogP13.40
Rot. Bonds6

About 2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole

2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole (PubChem CID 122593896) has the molecular formula C50H32N4S and a molecular weight of 720.90 g/mol. Its IUPAC name is 2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole
PubChem CID122593896
Molecular FormulaC50H32N4S
Molecular Weight720.90 g/mol
Exact Mass720.23
IUPAC Name2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c67)s5)cccc43)c2)cc1
InChIInChI=1S/C50H32N4S/c1-3-15-33(16-4-1)35-19-11-21-37(31-35)53-45-29-10-8-24-41(45)47-42(26-14-30-46(47)53)49-51-52-50(55-49)43-27-13-25-40-39-23-7-9-28-44(39)54(48(40)43)38-22-12-20-36(32-38)34-17-5-2-6-18-34/h1-32H
InChIKeyIBLFIXFAVQNHKT-UHFFFAOYSA-N
XLogP13.40
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.90
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 164821252
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
2-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-4-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 162097469
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146226899
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole (CID 122593896) is 2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole is c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5nnc(-c6cccc7c8ccccc8n(-c8cccc(-c9ccccc9)c8)c67)s5)cccc43)c2)cc1.
What is the InChIKey of 2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole?
The InChIKey is IBLFIXFAVQNHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4S/c1-3-15-33(16-4-1)35-19-11-21-37(31-35)53-45-29-10-8-24-41(45)47-42(26-14-30-46(47)53)49-51-52-50(55-49)43-27-13-25-40-39-23-7-9-28-44(39)54(48(40)43)38-22-12-20-36(32-38)34-17-5-2-6-18-34/h1-32H.
What are the key properties of 2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole?
2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole has a molecular weight of 720.90 g/mol, XLogP of 13.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 122593896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).