2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine

C52H40N2 — CID 166901883

IUPAC2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2cccc(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)c2)ccc1C3(C)C
InChIInChI=1S/C52H40N2/c1-51(2)43-26-15-14-25-39(43)41-31-46-42(32-45(41)51)40-30-37(27-28-44(40)52(46,3)4)36-23-16-24-38(29-36)50-49(35-21-12-7-13-22-35)53-47(33-17-8-5-9-18-33)48(54-50)34-19-10-6-11-20-34/h5-32H,1-4H3
InChIKeyHTDMBPGIQDNASF-UHFFFAOYSA-N
MW692.91 g/mol
LogP13.42
Rot. Bonds5

About 2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine

2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine (PubChem CID 166901883) has the molecular formula C52H40N2 and a molecular weight of 692.91 g/mol. Its IUPAC name is 2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine.

Molecular Properties

Compound Name2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
PubChem CID166901883
Molecular FormulaC52H40N2
Molecular Weight692.91 g/mol
Exact Mass692.32
IUPAC Name2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2cccc(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)c2)ccc1C3(C)C
InChIInChI=1S/C52H40N2/c1-51(2)43-26-15-14-25-39(43)41-31-46-42(32-45(41)51)40-30-37(27-28-44(40)52(46,3)4)36-23-16-24-38(29-36)50-49(35-21-12-7-13-22-35)53-47(33-17-8-5-9-18-33)48(54-50)34-19-10-6-11-20-34/h5-32H,1-4H3
InChIKeyHTDMBPGIQDNASF-UHFFFAOYSA-N
XLogP13.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.91
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5-triphenyl-6-[3-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]pyrazine
CID 166902423
2-[4-[3-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
CID 166903120
2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
CID 166902522
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 167344610
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 66594001
2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705
2-[3-[3-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139400666
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 161235712

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine?
The IUPAC name of 2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine (CID 166901883) is 2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine.
What is the SMILES notation for 2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine?
The canonical SMILES for 2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine is CC1(C)c2ccccc2-c2cc3c(cc21)-c1cc(-c2cccc(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)c2)ccc1C3(C)C.
What is the InChIKey of 2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine?
The InChIKey is HTDMBPGIQDNASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2/c1-51(2)43-26-15-14-25-39(43)41-31-46-42(32-45(41)51)40-30-37(27-28-44(40)52(46,3)4)36-23-16-24-38(29-36)50-49(35-21-12-7-13-22-35)53-47(33-17-8-5-9-18-33)48(54-50)34-19-10-6-11-20-34/h5-32H,1-4H3.
What are the key properties of 2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine?
2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine has a molecular weight of 692.91 g/mol, XLogP of 13.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine is sourced from PubChem (CID 166901883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).