3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole

C70H44N4S — CID 118069043

IUPAC3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)-c2ccccc2C3c2ccc3sc4ccc(-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc4c3c2)nc1
InChIInChI=1S/C70H44N4S/c1-5-19-53(63-23-9-12-36-71-63)49(15-1)44-26-31-57-58(39-44)52-18-4-8-22-56(52)70(57)47-29-34-68-61(42-47)62-43-48(30-35-69(62)75-68)74-66-32-27-45(50-16-2-6-20-54(50)64-24-10-13-37-72-64)40-59(66)60-41-46(28-33-67(60)74)51-17-3-7-21-55(51)65-25-11-14-38-73-65/h1-43,70H
InChIKeyHEJKMFSOKPRBCE-UHFFFAOYSA-N
MW973.22 g/mol
LogP18.50
Rot. Bonds8

About 3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole

3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole (PubChem CID 118069043) has the molecular formula C70H44N4S and a molecular weight of 973.22 g/mol. Its IUPAC name is 3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole
PubChem CID118069043
Molecular FormulaC70H44N4S
Molecular Weight973.22 g/mol
Exact Mass972.33
IUPAC Name3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)-c2ccccc2C3c2ccc3sc4ccc(-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc4c3c2)nc1
InChIInChI=1S/C70H44N4S/c1-5-19-53(63-23-9-12-36-71-63)49(15-1)44-26-31-57-58(39-44)52-18-4-8-22-56(52)70(57)47-29-34-68-61(42-47)62-43-48(30-35-69(62)75-68)74-66-32-27-45(50-16-2-6-20-54(50)64-24-10-13-37-72-64)40-59(66)60-41-46(28-33-67(60)74)51-17-3-7-21-55(51)65-25-11-14-38-73-65/h1-43,70H
InChIKeyHEJKMFSOKPRBCE-UHFFFAOYSA-N
XLogP18.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.22
LogP ≤ 518.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1Z,3Z)-5-[8-[3-(6-pyridin-2-ylcyclohexa-2,4-dien-1-yl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]hexa-1,3-dien-1-amine
CID 163461509
9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-3-[2-(2,3-dihydropyridin-2-yl)phenyl]-6-[2-(2,3-dihydropyridin-6-yl)phenyl]carbazole
CID 163554308
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
5-dibenzofuran-2-yl-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;5-dibenzothiophen-2-yl-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;5-phenylpyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzothiophen-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole;5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole
CID 157173487
3-[9-(9-naphthalen-2-yl-9H-fluoren-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 167027847
5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene
CID 144612501
2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-2-yl)carbazole;2-carbazol-9-yl-9-(6-carbazol-9-yldibenzothiophen-4-yl)carbazole;2-carbazol-9-yl-9-[8-(9H-fluoren-9-yl)dibenzothiophen-4-yl]carbazole
CID 161216677
9-(8-cyclohexa-2,4-dien-1-yl-6,7-dihydrodibenzothiophen-2-yl)-3,6-bis(2-pyridin-2-ylphenyl)carbazole
CID 144627584
3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
CID 123136164
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
5-(9-methylcarbazol-3-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 58370085
9-(7,8-dipyridin-2-yldibenzofuran-2-yl)-3,6-bis(2-pyridin-2-ylphenyl)carbazole;methanamine;pyridine
CID 144536431

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole?
The IUPAC name of 3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole (CID 118069043) is 3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole is c1ccc(-c2ccccc2-c2ccc3c(c2)-c2ccccc2C3c2ccc3sc4ccc(-n5c6ccc(-c7ccccc7-c7ccccn7)cc6c6cc(-c7ccccc7-c7ccccn7)ccc65)cc4c3c2)nc1.
What is the InChIKey of 3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole?
The InChIKey is HEJKMFSOKPRBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N4S/c1-5-19-53(63-23-9-12-36-71-63)49(15-1)44-26-31-57-58(39-44)52-18-4-8-22-56(52)70(57)47-29-34-68-61(42-47)62-43-48(30-35-69(62)75-68)74-66-32-27-45(50-16-2-6-20-54(50)64-24-10-13-37-72-64)40-59(66)60-41-46(28-33-67(60)74)51-17-3-7-21-55(51)65-25-11-14-38-73-65/h1-43,70H.
What are the key properties of 3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole?
3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole has a molecular weight of 973.22 g/mol, XLogP of 18.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-pyridin-2-ylphenyl)-9-[8-[3-(2-pyridin-2-ylphenyl)-9H-fluoren-9-yl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 118069043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).