5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine

C55H36N2O — CID 118668301

IUPAC5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine
SMILESc1ccc(N2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3Oc3c2ccc2c3-c3ccccc3C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C55H36N2O/c1-5-17-39(18-6-1)55(40-19-7-2-8-20-40)46-27-15-13-26-44(46)53-47(55)31-33-50-54(53)58-52-34-30-38(36-51(52)57(50)42-23-11-4-12-24-42)37-29-32-49-45(35-37)43-25-14-16-28-48(43)56(49)41-21-9-3-10-22-41/h1-36H
InChIKeyVEBNWMXLTOJTQA-UHFFFAOYSA-N
MW740.91 g/mol
LogP14.39
Rot. Bonds5

About 5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine

5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine (PubChem CID 118668301) has the molecular formula C55H36N2O and a molecular weight of 740.91 g/mol. Its IUPAC name is 5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine.

Molecular Properties

Compound Name5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine
PubChem CID118668301
Molecular FormulaC55H36N2O
Molecular Weight740.91 g/mol
Exact Mass740.28
IUPAC Name5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine
SMILESc1ccc(N2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3Oc3c2ccc2c3-c3ccccc3C2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C55H36N2O/c1-5-17-39(18-6-1)55(40-19-7-2-8-20-40)46-27-15-13-26-44(46)53-47(55)31-33-50-54(53)58-52-34-30-38(36-51(52)57(50)42-23-11-4-12-24-42)37-29-32-49-45(35-37)43-25-14-16-28-48(43)56(49)41-21-9-3-10-22-41/h1-36H
InChIKeyVEBNWMXLTOJTQA-UHFFFAOYSA-N
XLogP14.39
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,8,8-triphenylindeno[2,1-c]phenoxazine
CID 118668288
2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
CID 155153866
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
3-(9-phenylcarbazol-3-yl)-9-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)carbazole
CID 146759591
N-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-N,9-diphenylcarbazol-2-amine
CID 138581380
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 121423814
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423823
3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118449506
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918

Frequently Asked Questions

What is the IUPAC name of 5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine?
The IUPAC name of 5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine (CID 118668301) is 5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine.
What is the SMILES notation for 5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine?
The canonical SMILES for 5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine is c1ccc(N2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3Oc3c2ccc2c3-c3ccccc3C2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine?
The InChIKey is VEBNWMXLTOJTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O/c1-5-17-39(18-6-1)55(40-19-7-2-8-20-40)46-27-15-13-26-44(46)53-47(55)31-33-50-54(53)58-52-34-30-38(36-51(52)57(50)42-23-11-4-12-24-42)37-29-32-49-45(35-37)43-25-14-16-28-48(43)56(49)41-21-9-3-10-22-41/h1-36H.
What are the key properties of 5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine?
5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine has a molecular weight of 740.91 g/mol, XLogP of 14.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine is sourced from PubChem (CID 118668301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).