9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole

C64H36F4N6 — CID 88891323

IUPAC9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1nc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-n4c5c(c6ccccc64)CCC=C5)cc32)nc(-n2c3ccc(F)cc3c3cc(F)ccc32)n1
InChIInChI=1S/C64H36F4N6/c65-36-18-25-57-47(30-36)48-31-37(66)19-26-58(48)73(57)62-69-61(70-63(71-62)74-59-27-20-38(67)32-49(59)50-33-39(68)21-28-60(50)74)35-17-23-43-41-9-1-5-13-51(41)64(53(43)29-35)52-14-6-2-10-42(52)44-24-22-40(34-54(44)64)72-55-15-7-3-11-45(55)46-12-4-8-16-56(46)72/h1-3,5-11,13-34H,4,12H2
InChIKeyBSWZPHLFEVYFDC-UHFFFAOYSA-N
MW965.03 g/mol
LogP15.54
Rot. Bonds4

About 9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole

9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole (PubChem CID 88891323) has the molecular formula C64H36F4N6 and a molecular weight of 965.03 g/mol. Its IUPAC name is 9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole.

Molecular Properties

Compound Name9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole
PubChem CID88891323
Molecular FormulaC64H36F4N6
Molecular Weight965.03 g/mol
Exact Mass964.29
IUPAC Name9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1nc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-n4c5c(c6ccccc64)CCC=C5)cc32)nc(-n2c3ccc(F)cc3c3cc(F)ccc32)n1
InChIInChI=1S/C64H36F4N6/c65-36-18-25-57-47(30-36)48-31-37(66)19-26-58(48)73(57)62-69-61(70-63(71-62)74-59-27-20-38(67)32-49(59)50-33-39(68)21-28-60(50)74)35-17-23-43-41-9-1-5-13-51(41)64(53(43)29-35)52-14-6-2-10-42(52)44-24-22-40(34-54(44)64)72-55-15-7-3-11-45(55)46-12-4-8-16-56(46)72/h1-3,5-11,13-34H,4,12H2
InChIKeyBSWZPHLFEVYFDC-UHFFFAOYSA-N
XLogP15.54
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.03
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole?
The IUPAC name of 9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole (CID 88891323) is 9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole.
What is the SMILES notation for 9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole?
The canonical SMILES for 9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole is Fc1ccc2c(c1)c1cc(F)ccc1n2-c1nc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-n4c5c(c6ccccc64)CCC=C5)cc32)nc(-n2c3ccc(F)cc3c3cc(F)ccc32)n1.
What is the InChIKey of 9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole?
The InChIKey is BSWZPHLFEVYFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36F4N6/c65-36-18-25-57-47(30-36)48-31-37(66)19-26-58(48)73(57)62-69-61(70-63(71-62)74-59-27-20-38(67)32-49(59)50-33-39(68)21-28-60(50)74)35-17-23-43-41-9-1-5-13-51(41)64(53(43)29-35)52-14-6-2-10-42(52)44-24-22-40(34-54(44)64)72-55-15-7-3-11-45(55)46-12-4-8-16-56(46)72/h1-3,5-11,13-34H,4,12H2.
What are the key properties of 9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole?
9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole has a molecular weight of 965.03 g/mol, XLogP of 15.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,6-difluorocarbazol-9-yl)-6-[2'-(3,4-dihydrocarbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-1,3,5-triazin-2-yl]-3,6-difluorocarbazole is sourced from PubChem (CID 88891323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).