5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one

C55H37N5O — CID 126543784

IUPAC5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-n5c(=O)c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cccc21
InChIInChI=1S/C55H37N5O/c1-55(2)45-21-9-5-19-43(45)50-44(20-13-22-46(50)55)53-57-51(34-26-30-36(31-27-34)59-47-23-10-7-16-40(47)41-17-8-11-24-48(41)59)56-52(58-53)35-28-32-37(33-29-35)60-49-25-12-6-15-39(49)38-14-3-4-18-42(38)54(60)61/h3-33H,1-2H3
InChIKeyMWGBNVPBIMMQNW-UHFFFAOYSA-N
MW783.94 g/mol
LogP12.73
Rot. Bonds5

About 5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one

5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one (PubChem CID 126543784) has the molecular formula C55H37N5O and a molecular weight of 783.94 g/mol. Its IUPAC name is 5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one.

Molecular Properties

Compound Name5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one
PubChem CID126543784
Molecular FormulaC55H37N5O
Molecular Weight783.94 g/mol
Exact Mass783.30
IUPAC Name5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-n5c(=O)c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cccc21
InChIInChI=1S/C55H37N5O/c1-55(2)45-21-9-5-19-43(45)50-44(20-13-22-46(50)55)53-57-51(34-26-30-36(31-27-34)59-47-23-10-7-16-40(47)41-17-8-11-24-48(41)59)56-52(58-53)35-28-32-37(33-29-35)60-49-25-12-6-15-39(49)38-14-3-4-18-42(38)54(60)61/h3-33H,1-2H3
InChIKeyMWGBNVPBIMMQNW-UHFFFAOYSA-N
XLogP12.73
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.94
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 90059498
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
9-[3-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163655067
9-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510071
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
9-[4-[4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126543721
5-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 135298303
5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542497
9-[4-[4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138575389
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one?
The IUPAC name of 5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one (CID 126543784) is 5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one.
What is the SMILES notation for 5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one?
The canonical SMILES for 5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-n5c(=O)c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cccc21.
What is the InChIKey of 5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one?
The InChIKey is MWGBNVPBIMMQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N5O/c1-55(2)45-21-9-5-19-43(45)50-44(20-13-22-46(50)55)53-57-51(34-26-30-36(31-27-34)59-47-23-10-7-16-40(47)41-17-8-11-24-48(41)59)56-52(58-53)35-28-32-37(33-29-35)60-49-25-12-6-15-39(49)38-14-3-4-18-42(38)54(60)61/h3-33H,1-2H3.
What are the key properties of 5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one?
5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one has a molecular weight of 783.94 g/mol, XLogP of 12.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one is sourced from PubChem (CID 126543784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).