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

C49H30N2O — CID 122431002

IUPAC4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one
SMILESO=C1c2ccccc2-c2c1cccc2-c1cccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)cc2)c1
InChIInChI=1S/C49H30N2O/c52-49-40-19-5-4-18-39(40)48-36(20-11-21-41(48)49)33-13-10-12-32(28-33)31-24-26-35(27-25-31)51-45-23-9-7-17-38(45)43-29-46-42(30-47(43)51)37-16-6-8-22-44(37)50(46)34-14-2-1-3-15-34/h1-30H
InChIKeyIYYWSJSJQJAYQH-UHFFFAOYSA-N
MW662.79 g/mol
LogP12.43
Rot. Bonds4

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

4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one (PubChem CID 122431002) has the molecular formula C49H30N2O and a molecular weight of 662.79 g/mol. Its IUPAC name is 4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one.

Molecular Properties

Compound Name4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one
PubChem CID122431002
Molecular FormulaC49H30N2O
Molecular Weight662.79 g/mol
Exact Mass662.24
IUPAC Name4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one
SMILESO=C1c2ccccc2-c2c1cccc2-c1cccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)cc2)c1
InChIInChI=1S/C49H30N2O/c52-49-40-19-5-4-18-39(40)48-36(20-11-21-41(48)49)33-13-10-12-32(28-33)31-24-26-35(27-25-31)51-45-23-9-7-17-38(45)43-29-46-42(30-47(43)51)37-16-6-8-22-44(37)50(46)34-14-2-1-3-15-34/h1-30H
InChIKeyIYYWSJSJQJAYQH-UHFFFAOYSA-N
XLogP12.43
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.79
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847706
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
7-(4-phenylphenyl)-5-[2-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 164847545
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
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[3-(4-phenylphenyl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-phenyl-6-[4-(3-phenylphenyl)phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165041671
9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole
CID 155333092
2-[2-(4-methylphenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 118337077
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one?
The IUPAC name of 4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one (CID 122431002) is 4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one.
What is the SMILES notation for 4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one?
The canonical SMILES for 4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one is O=C1c2ccccc2-c2c1cccc2-c1cccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)cc2)c1.
What is the InChIKey of 4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one?
The InChIKey is IYYWSJSJQJAYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O/c52-49-40-19-5-4-18-39(40)48-36(20-11-21-41(48)49)33-13-10-12-32(28-33)31-24-26-35(27-25-31)51-45-23-9-7-17-38(45)43-29-46-42(30-47(43)51)37-16-6-8-22-44(37)50(46)34-14-2-1-3-15-34/h1-30H.
What are the key properties of 4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one?
4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one has a molecular weight of 662.79 g/mol, XLogP of 12.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]phenyl]fluoren-9-one is sourced from PubChem (CID 122431002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).