2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

C100H62N6 — CID 167177308

IUPAC2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4cccc(-c5ccc6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)ccc6c5)c4)ccc4ccccc34)n2)cc1
InChIInChI=1S/C100H62N6/c1-6-30-64(31-7-1)93-101-94(65-32-8-2-9-33-65)104-97(103-93)91-73-42-17-16-29-63(73)55-59-79(91)77-47-27-53-87-89(77)81-45-20-24-51-85(81)99(87,71-39-14-5-15-40-71)72-41-26-38-68(62-72)69-56-58-74-70(61-69)57-60-80(92(74)98-105-95(66-34-10-3-11-35-66)102-96(106-98)67-36-12-4-13-37-67)78-48-28-54-88-90(78)82-46-21-25-52-86(82)100(88)83-49-22-18-43-75(83)76-44-19-23-50-84(76)100/h1-62H
InChIKeyZJNKXWZIOIQJPH-UHFFFAOYSA-N
MW1347.64 g/mol
LogP24.07
Rot. Bonds11

About 2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 167177308) has the molecular formula C100H62N6 and a molecular weight of 1347.64 g/mol. Its IUPAC name is 2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID167177308
Molecular FormulaC100H62N6
Molecular Weight1347.64 g/mol
Exact Mass1346.50
IUPAC Name2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4cccc(-c5ccc6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)ccc6c5)c4)ccc4ccccc34)n2)cc1
InChIInChI=1S/C100H62N6/c1-6-30-64(31-7-1)93-101-94(65-32-8-2-9-33-65)104-97(103-93)91-73-42-17-16-29-63(73)55-59-79(91)77-47-27-53-87-89(77)81-45-20-24-51-85(81)99(87,71-39-14-5-15-40-71)72-41-26-38-68(62-72)69-56-58-74-70(61-69)57-60-80(92(74)98-105-95(66-34-10-3-11-35-66)102-96(106-98)67-36-12-4-13-37-67)78-48-28-54-88-90(78)82-46-21-25-52-86(82)100(88)83-49-22-18-43-75(83)76-44-19-23-50-84(76)100/h1-62H
InChIKeyZJNKXWZIOIQJPH-UHFFFAOYSA-N
XLogP24.07
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001347.64
LogP ≤ 524.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-(2-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 157487558
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465814
4-[4-[4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 171588962
2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 158764717
2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134487429
2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155465894
2-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 162196091
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-(3-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779837
4-phenanthren-2-yl-2-phenyl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 130355554
2-[3-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450602
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[3-[4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 170256279

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 167177308) is 2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4cccc(-c5ccc6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c(-c7cccc8c7-c7ccccc7C87c8ccccc8-c8ccccc87)ccc6c5)c4)ccc4ccccc34)n2)cc1.
What is the InChIKey of 2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZJNKXWZIOIQJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H62N6/c1-6-30-64(31-7-1)93-101-94(65-32-8-2-9-33-65)104-97(103-93)91-73-42-17-16-29-63(73)55-59-79(91)77-47-27-53-87-89(77)81-45-20-24-51-85(81)99(87,71-39-14-5-15-40-71)72-41-26-38-68(62-72)69-56-58-74-70(61-69)57-60-80(92(74)98-105-95(66-34-10-3-11-35-66)102-96(106-98)67-36-12-4-13-37-67)78-48-28-54-88-90(78)82-46-21-25-52-86(82)100(88)83-49-22-18-43-75(83)76-44-19-23-50-84(76)100/h1-62H.
What are the key properties of 2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1347.64 g/mol, XLogP of 24.07, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9-phenylfluoren-9-yl]phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 167177308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).