1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one

C86H50N4O2 — CID 122430934

IUPAC1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one
SMILESO=C1c2ccccc2-c2cccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c(-c4cccc5c4C(=O)c4ccccc4-5)c3)c21
InChIInChI=1S/C86H50N4O2/c91-85-67-31-9-7-25-56(67)64-34-19-33-55(83(64)85)51-41-43-58(69(45-51)66-36-20-35-65-57-26-8-10-32-68(57)86(92)84(65)66)63-44-42-54(89-76-39-17-13-29-61(76)71-47-79-70(48-81(71)89)59-27-11-15-37-74(59)87(79)52-21-3-1-4-22-52)46-78(63)90-77-40-18-14-30-62(77)73-49-80-72(50-82(73)90)60-28-12-16-38-75(60)88(80)53-23-5-2-6-24-53/h1-50H
InChIKeyRLMVRPHJXWVKPJ-UHFFFAOYSA-N
MW1171.37 g/mol
LogP21.50
Rot. Bonds7

About 1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one

1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one (PubChem CID 122430934) has the molecular formula C86H50N4O2 and a molecular weight of 1171.37 g/mol. Its IUPAC name is 1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one.

Molecular Properties

Compound Name1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one
PubChem CID122430934
Molecular FormulaC86H50N4O2
Molecular Weight1171.37 g/mol
Exact Mass1170.39
IUPAC Name1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one
SMILESO=C1c2ccccc2-c2cccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c(-c4cccc5c4C(=O)c4ccccc4-5)c3)c21
InChIInChI=1S/C86H50N4O2/c91-85-67-31-9-7-25-56(67)64-34-19-33-55(83(64)85)51-41-43-58(69(45-51)66-36-20-35-65-57-26-8-10-32-68(57)86(92)84(65)66)63-44-42-54(89-76-39-17-13-29-61(76)71-47-79-70(48-81(71)89)59-27-11-15-37-74(59)87(79)52-21-3-1-4-22-52)46-78(63)90-77-40-18-14-30-62(77)73-49-80-72(50-82(73)90)60-28-12-16-38-75(60)88(80)53-23-5-2-6-24-53/h1-50H
InChIKeyRLMVRPHJXWVKPJ-UHFFFAOYSA-N
XLogP21.50
TPSA53.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.37
LogP ≤ 521.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one
CID 122431002
5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole
CID 138568989
2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 176837359
5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847706
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 170060135
3-[4-(12-oxo-11-phenylindeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]-11-phenyl-8-(9-phenylcarbazol-2-yl)indeno[2,3-a]carbazol-12-one
CID 123472554
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
5,11-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(3-phenylphenyl)-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;11-(2-phenylphenyl)-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;11-[3-(4-phenylphenyl)phenyl]-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 158262585
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one?
The IUPAC name of 1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one (CID 122430934) is 1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one.
What is the SMILES notation for 1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one?
The canonical SMILES for 1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one is O=C1c2ccccc2-c2cccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c(-c4cccc5c4C(=O)c4ccccc4-5)c3)c21.
What is the InChIKey of 1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one?
The InChIKey is RLMVRPHJXWVKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H50N4O2/c91-85-67-31-9-7-25-56(67)64-34-19-33-55(83(64)85)51-41-43-58(69(45-51)66-36-20-35-65-57-26-8-10-32-68(57)86(92)84(65)66)63-44-42-54(89-76-39-17-13-29-61(76)71-47-79-70(48-81(71)89)59-27-11-15-37-74(59)87(79)52-21-3-1-4-22-52)46-78(63)90-77-40-18-14-30-62(77)73-49-80-72(50-82(73)90)60-28-12-16-38-75(60)88(80)53-23-5-2-6-24-53/h1-50H.
What are the key properties of 1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one?
1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one has a molecular weight of 1171.37 g/mol, XLogP of 21.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-5-(9-oxofluoren-1-yl)phenyl]fluoren-9-one is sourced from PubChem (CID 122430934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).