9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole

C94H64N6 — CID 58943262

IUPAC9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole
SMILESCC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)c6)ccc4-5)c3)ccc2-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)cc21
InChIInChI=1S/C94H64N6/c1-93(2)77-49-59(40-44-65(77)67-46-42-61(51-79(67)93)63-53-89(97-81-32-13-5-24-69(81)70-25-6-14-33-82(70)97)95-90(54-63)98-83-34-15-7-26-71(83)72-27-8-16-35-84(72)98)57-22-21-23-58(48-57)60-41-45-66-68-47-43-62(52-80(68)94(3,4)78(66)50-60)64-55-91(99-85-36-17-9-28-73(85)74-29-10-18-37-86(74)99)96-92(56-64)100-87-38-19-11-30-75(87)76-31-12-20-39-88(76)100/h5-56H,1-4H3
InChIKeyCVPUYSDSKAOIDB-UHFFFAOYSA-N
MW1277.59 g/mol
LogP24.15
Rot. Bonds8

About 9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole

9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole (PubChem CID 58943262) has the molecular formula C94H64N6 and a molecular weight of 1277.59 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole
PubChem CID58943262
Molecular FormulaC94H64N6
Molecular Weight1277.59 g/mol
Exact Mass1276.52
IUPAC Name9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole
SMILESCC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)c6)ccc4-5)c3)ccc2-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)cc21
InChIInChI=1S/C94H64N6/c1-93(2)77-49-59(40-44-65(77)67-46-42-61(51-79(67)93)63-53-89(97-81-32-13-5-24-69(81)70-25-6-14-33-82(70)97)95-90(54-63)98-83-34-15-7-26-71(83)72-27-8-16-35-84(72)98)57-22-21-23-58(48-57)60-41-45-66-68-47-43-62(52-80(68)94(3,4)78(66)50-60)64-55-91(99-85-36-17-9-28-73(85)74-29-10-18-37-86(74)99)96-92(56-64)100-87-38-19-11-30-75(87)76-31-12-20-39-88(76)100/h5-56H,1-4H3
InChIKeyCVPUYSDSKAOIDB-UHFFFAOYSA-N
XLogP24.15
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001277.59
LogP ≤ 524.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole?
The IUPAC name of 9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole (CID 58943262) is 9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole.
What is the SMILES notation for 9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole?
The canonical SMILES for 9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole is CC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)c6)ccc4-5)c3)ccc2-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)cc21.
What is the InChIKey of 9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole?
The InChIKey is CVPUYSDSKAOIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H64N6/c1-93(2)77-49-59(40-44-65(77)67-46-42-61(51-79(67)93)63-53-89(97-81-32-13-5-24-69(81)70-25-6-14-33-82(70)97)95-90(54-63)98-83-34-15-7-26-71(83)72-27-8-16-35-84(72)98)57-22-21-23-58(48-57)60-41-45-66-68-47-43-62(52-80(68)94(3,4)78(66)50-60)64-55-91(99-85-36-17-9-28-73(85)74-29-10-18-37-86(74)99)96-92(56-64)100-87-38-19-11-30-75(87)76-31-12-20-39-88(76)100/h5-56H,1-4H3.
What are the key properties of 9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole?
9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole has a molecular weight of 1277.59 g/mol, XLogP of 24.15, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-carbazol-9-yl-4-[7-[3-[7-[2,6-di(carbazol-9-yl)-4-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-pyridinyl]carbazole is sourced from PubChem (CID 58943262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).