12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole

C68H44F2N4 — CID 139553182

IUPAC12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESCCc1c(-c2ccc(F)cc2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1ccc(F)cc1
InChIInChI=1S/C68H44F2N4/c1-2-48-63(42-29-33-44(69)34-30-42)61(73-55-25-13-9-21-49(55)51-37-39-59-65(67(51)73)53-23-11-15-27-57(53)71(59)46-17-5-3-6-18-46)41-62(64(48)43-31-35-45(70)36-32-43)74-56-26-14-10-22-50(56)52-38-40-60-66(68(52)74)54-24-12-16-28-58(54)72(60)47-19-7-4-8-20-47/h3-41H,2H2,1H3
InChIKeyUMVKKGNFHBQHDW-UHFFFAOYSA-N
MW955.12 g/mol
LogP18.25
Rot. Bonds7

About 12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole

12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 139553182) has the molecular formula C68H44F2N4 and a molecular weight of 955.12 g/mol. Its IUPAC name is 12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
PubChem CID139553182
Molecular FormulaC68H44F2N4
Molecular Weight955.12 g/mol
Exact Mass954.35
IUPAC Name12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESCCc1c(-c2ccc(F)cc2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1ccc(F)cc1
InChIInChI=1S/C68H44F2N4/c1-2-48-63(42-29-33-44(69)34-30-42)61(73-55-25-13-9-21-49(55)51-37-39-59-65(67(51)73)53-23-11-15-27-57(53)71(59)46-17-5-3-6-18-46)41-62(64(48)43-31-35-45(70)36-32-43)74-56-26-14-10-22-50(56)52-38-40-60-66(68(52)74)54-24-12-16-28-58(54)72(60)47-19-7-4-8-20-47/h3-41H,2H2,1H3
InChIKeyUMVKKGNFHBQHDW-UHFFFAOYSA-N
XLogP18.25
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.12
LogP ≤ 518.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[10-(4-fluorophenyl)anthracen-9-yl]-9-phenylcarbazole
CID 170395491
2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137368903
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 146771699
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 134168763
12-[4,6-bis(4-ethylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 118504640
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773

Frequently Asked Questions

What is the IUPAC name of 12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole (CID 139553182) is 12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole is CCc1c(-c2ccc(F)cc2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1ccc(F)cc1.
What is the InChIKey of 12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is UMVKKGNFHBQHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44F2N4/c1-2-48-63(42-29-33-44(69)34-30-42)61(73-55-25-13-9-21-49(55)51-37-39-59-65(67(51)73)53-23-11-15-27-57(53)71(59)46-17-5-3-6-18-46)41-62(64(48)43-31-35-45(70)36-32-43)74-56-26-14-10-22-50(56)52-38-40-60-66(68(52)74)54-24-12-16-28-58(54)72(60)47-19-7-4-8-20-47/h3-41H,2H2,1H3.
What are the key properties of 12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 955.12 g/mol, XLogP of 18.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 139553182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).