2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine

C56H39N3 — CID 118427231

IUPAC2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3c(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)c4ccccc4c4ccccc34)cccc21
InChIInChI=1S/C56H39N3/c1-56(2)48-32-14-13-30-46(48)50-47(31-17-33-49(50)56)51-44-28-11-9-26-42(44)43-27-10-12-29-45(43)52(51)55-58-53(40-24-15-22-38(34-40)36-18-5-3-6-19-36)57-54(59-55)41-25-16-23-39(35-41)37-20-7-4-8-21-37/h3-35H,1-2H3
InChIKeyAMEYXQZTVZFUIN-UHFFFAOYSA-N
MW753.95 g/mol
LogP14.49
Rot. Bonds6

About 2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine

2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 118427231) has the molecular formula C56H39N3 and a molecular weight of 753.95 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
PubChem CID118427231
Molecular FormulaC56H39N3
Molecular Weight753.95 g/mol
Exact Mass753.31
IUPAC Name2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3c(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)c4ccccc4c4ccccc34)cccc21
InChIInChI=1S/C56H39N3/c1-56(2)48-32-14-13-30-46(48)50-47(31-17-33-49(50)56)51-44-28-11-9-26-42(44)43-27-10-12-29-45(43)52(51)55-58-53(40-24-15-22-38(34-40)36-18-5-3-6-19-36)57-54(59-55)41-25-16-23-39(35-41)37-20-7-4-8-21-37/h3-35H,1-2H3
InChIKeyAMEYXQZTVZFUIN-UHFFFAOYSA-N
XLogP14.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7,7-dimethylbenzo[c]fluoren-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155465836
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850
2-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 165151926
[4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645488
2-[3-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166565386
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715
9-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]acridine
CID 59196514
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
2-[3-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164721430
6-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthridine
CID 129200930

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 118427231) is 2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3c(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)c4ccccc4c4ccccc34)cccc21.
What is the InChIKey of 2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is AMEYXQZTVZFUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3/c1-56(2)48-32-14-13-30-46(48)50-47(31-17-33-49(50)56)51-44-28-11-9-26-42(44)43-27-10-12-29-45(43)52(51)55-58-53(40-24-15-22-38(34-40)36-18-5-3-6-19-36)57-54(59-55)41-25-16-23-39(35-41)37-20-7-4-8-21-37/h3-35H,1-2H3.
What are the key properties of 2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 753.95 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(9,9-dimethylfluoren-4-yl)phenanthren-9-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 118427231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).