3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole

C63H43F2N5 — CID 121276684

IUPAC3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc(F)ccc2-c2ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4cc(F)ccc4-5)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc21
InChIInChI=1S/C63H43F2N5/c1-62(2)51-32-38(18-24-43(51)45-26-22-40(64)34-53(45)62)59-66-60(39-19-25-44-46-27-23-41(65)35-54(46)63(3,4)52(44)33-39)68-61(67-59)70-56-17-11-9-15-48(56)50-31-37(21-29-58(50)70)36-20-28-57-49(30-36)47-14-8-10-16-55(47)69(57)42-12-6-5-7-13-42/h5-35H,1-4H3
InChIKeyCNASXEMPQKLJGS-UHFFFAOYSA-N
MW908.07 g/mol
LogP15.96
Rot. Bonds5

About 3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 121276684) has the molecular formula C63H43F2N5 and a molecular weight of 908.07 g/mol. Its IUPAC name is 3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID121276684
Molecular FormulaC63H43F2N5
Molecular Weight908.07 g/mol
Exact Mass907.35
IUPAC Name3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc(F)ccc2-c2ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4cc(F)ccc4-5)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc21
InChIInChI=1S/C63H43F2N5/c1-62(2)51-32-38(18-24-43(51)45-26-22-40(64)34-53(45)62)59-66-60(39-19-25-44-46-27-23-41(65)35-54(46)63(3,4)52(44)33-39)68-61(67-59)70-56-17-11-9-15-48(56)50-31-37(21-29-58(50)70)36-20-28-57-49(30-36)47-14-8-10-16-55(47)69(57)42-12-6-5-7-13-42/h5-35H,1-4H3
InChIKeyCNASXEMPQKLJGS-UHFFFAOYSA-N
XLogP15.96
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.07
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole (CID 121276684) is 3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole is CC1(C)c2cc(F)ccc2-c2ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4cc(F)ccc4-5)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cc21.
What is the InChIKey of 3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is CNASXEMPQKLJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43F2N5/c1-62(2)51-32-38(18-24-43(51)45-26-22-40(64)34-53(45)62)59-66-60(39-19-25-44-46-27-23-41(65)35-54(46)63(3,4)52(44)33-39)68-61(67-59)70-56-17-11-9-15-48(56)50-31-37(21-29-58(50)70)36-20-28-57-49(30-36)47-14-8-10-16-55(47)69(57)42-12-6-5-7-13-42/h5-35H,1-4H3.
What are the key properties of 3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 908.07 g/mol, XLogP of 15.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4,6-bis(7-fluoro-9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).