9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole

C81H52N6O2 — CID 88553941

IUPAC9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccn4)ccc2n3-c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(-n7c8ccc(-c9ccccn9)cc8c8cc(-c9ccccn9)ccc87)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)nc1
InChIInChI=1S/C81H52N6O2/c1-3-15-71-65(13-1)66-14-2-4-16-72(66)81(71,57-25-33-61(34-26-57)88-63-37-29-59(30-38-63)86-77-41-21-53(73-17-5-9-45-82-73)49-67(77)68-50-54(22-42-78(68)86)74-18-6-10-46-83-74)58-27-35-62(36-28-58)89-64-39-31-60(32-40-64)87-79-43-23-55(75-19-7-11-47-84-75)51-69(79)70-52-56(24-44-80(70)87)76-20-8-12-48-85-76/h1-52H
InChIKeyFDRZLRCGGYYQOY-UHFFFAOYSA-N
MW1141.35 g/mol
LogP20.08
Rot. Bonds12

About 9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole

9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole (PubChem CID 88553941) has the molecular formula C81H52N6O2 and a molecular weight of 1141.35 g/mol. Its IUPAC name is 9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole.

Molecular Properties

Compound Name9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole
PubChem CID88553941
Molecular FormulaC81H52N6O2
Molecular Weight1141.35 g/mol
Exact Mass1140.42
IUPAC Name9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccn4)ccc2n3-c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(-n7c8ccc(-c9ccccn9)cc8c8cc(-c9ccccn9)ccc87)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)nc1
InChIInChI=1S/C81H52N6O2/c1-3-15-71-65(13-1)66-14-2-4-16-72(66)81(71,57-25-33-61(34-26-57)88-63-37-29-59(30-38-63)86-77-41-21-53(73-17-5-9-45-82-73)49-67(77)68-50-54(22-42-78(68)86)74-18-6-10-46-83-74)58-27-35-62(36-28-58)89-64-39-31-60(32-40-64)87-79-43-23-55(75-19-7-11-47-84-75)51-69(79)70-52-56(24-44-80(70)87)76-20-8-12-48-85-76/h1-52H
InChIKeyFDRZLRCGGYYQOY-UHFFFAOYSA-N
XLogP20.08
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.35
LogP ≤ 520.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

10-Methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride
CID 10101942
10-Methoxy-3-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[3,4-c]carbazol-3-ium dichloride
CID 15921313
2-[4-[(Z)-2-[3-[[5-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-(4-fluorophenyl)methyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172447136
2-[4-[(E)-2-[3-[[5-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-(4-fluorophenyl)methyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172449508
10-Methoxy-2-(2-(1-piperidinyl)ethyl)-7H-pyrido(4,3-c)carbazolium
CID 126370
2-[4-[(Z)-2-[3-[[5-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-(4-iodophenyl)methyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172441840
2-[4-[(E)-2-[3-[[5-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-phenylmethyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172446692
2-[4-[(Z)-2-[3-[[5-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-phenylmethyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172451552
2-[4-[(E)-2-[3-[[5-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-(4-iodophenyl)methyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 172463724
1-[(4-Fluorophenyl)methyl]-3-methyl-6-[5-phenylmethoxy-2-(pyridin-4-ylmethyl)-1,3-dihydroinden-2-yl]indole
CID 57026364
7,7-Dipropyl-5-pyridin-4-yl-2-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]-9-[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]-1,2-dihydrocarbazol-9-yl]phenyl]indeno[2,1-b]carbazole
CID 123546009
7,7-Dipropyl-5-pyridin-4-yl-2,9-bis[3-[3-[3-(1,2,2-trifluoroethenoxy)phenyl]carbazol-9-yl]phenyl]indeno[2,1-b]carbazole
CID 126624356

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole?
The IUPAC name of 9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole (CID 88553941) is 9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole.
What is the SMILES notation for 9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole?
The canonical SMILES for 9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccn4)ccc2n3-c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc(-n7c8ccc(-c9ccccn9)cc8c8cc(-c9ccccn9)ccc87)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)nc1.
What is the InChIKey of 9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole?
The InChIKey is FDRZLRCGGYYQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H52N6O2/c1-3-15-71-65(13-1)66-14-2-4-16-72(66)81(71,57-25-33-61(34-26-57)88-63-37-29-59(30-38-63)86-77-41-21-53(73-17-5-9-45-82-73)49-67(77)68-50-54(22-42-78(68)86)74-18-6-10-46-83-74)58-27-35-62(36-28-58)89-64-39-31-60(32-40-64)87-79-43-23-55(75-19-7-11-47-84-75)51-69(79)70-52-56(24-44-80(70)87)76-20-8-12-48-85-76/h1-52H.
What are the key properties of 9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole?
9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole has a molecular weight of 1141.35 g/mol, XLogP of 20.08, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[9-[4-[4-(3,6-dipyridin-2-ylcarbazol-9-yl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-3,6-dipyridin-2-ylcarbazole is sourced from PubChem (CID 88553941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).