2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine

C44H33N3 — CID 145390974

IUPAC2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4nc(C5=CCCC=C5)nc(-c5ccccc5)n4)c4ccccc34)cc21
InChIInChI=1S/C44H33N3/c1-44(2)37-24-14-13-19-31(37)32-26-25-30(27-38(32)44)39-33-20-9-11-22-35(33)40(36-23-12-10-21-34(36)39)43-46-41(28-15-5-3-6-16-28)45-42(47-43)29-17-7-4-8-18-29/h3,5-7,9-27H,4,8H2,1-2H3
InChIKeyPJZRAYJGQQFNLT-UHFFFAOYSA-N
MW603.77 g/mol
LogP11.22
Rot. Bonds4

About 2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine

2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine (PubChem CID 145390974) has the molecular formula C44H33N3 and a molecular weight of 603.77 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine
PubChem CID145390974
Molecular FormulaC44H33N3
Molecular Weight603.77 g/mol
Exact Mass603.27
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4nc(C5=CCCC=C5)nc(-c5ccccc5)n4)c4ccccc34)cc21
InChIInChI=1S/C44H33N3/c1-44(2)37-24-14-13-19-31(37)32-26-25-30(27-38(32)44)39-33-20-9-11-22-35(33)40(36-23-12-10-21-34(36)39)43-46-41(28-15-5-3-6-16-28)45-42(47-43)29-17-7-4-8-18-29/h3,5-7,9-27H,4,8H2,1-2H3
InChIKeyPJZRAYJGQQFNLT-UHFFFAOYSA-N
XLogP11.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.77
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-cyclohexa-1,5-dien-1-yl-2-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine
CID 137381315
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-[3-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-2'-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 166902740
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
CID 130355500
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]-6-phenyl-1,3,5-triazine
CID 170289109
2-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129228023
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine (CID 145390974) is 2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4nc(C5=CCCC=C5)nc(-c5ccccc5)n4)c4ccccc34)cc21.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is PJZRAYJGQQFNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N3/c1-44(2)37-24-14-13-19-31(37)32-26-25-30(27-38(32)44)39-33-20-9-11-22-35(33)40(36-23-12-10-21-34(36)39)43-46-41(28-15-5-3-6-16-28)45-42(47-43)29-17-7-4-8-18-29/h3,5-7,9-27H,4,8H2,1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 603.77 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 145390974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).