N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine

C63H52N4 — CID 171727139

IUPACN,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)ccc21
InChIInChI=1S/C63H52N4/c1-60(2)51-23-15-11-19-43(51)47-33-37(26-31-53(47)60)57-64-58(38-25-29-45-41-17-9-13-21-49(41)62(5,6)55(45)34-38)66-59(65-57)67(39-28-32-54-48(35-39)44-20-12-16-24-52(44)61(54,3)4)40-27-30-46-42-18-10-14-22-50(42)63(7,8)56(46)36-40/h9-36H,1-8H3
InChIKeyHDVMYVQZIZJRJT-UHFFFAOYSA-N
MW865.14 g/mol
LogP15.90
Rot. Bonds5

About N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine

N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine (PubChem CID 171727139) has the molecular formula C63H52N4 and a molecular weight of 865.14 g/mol. Its IUPAC name is N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine
PubChem CID171727139
Molecular FormulaC63H52N4
Molecular Weight865.14 g/mol
Exact Mass864.42
IUPAC NameN,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)ccc21
InChIInChI=1S/C63H52N4/c1-60(2)51-23-15-11-19-43(51)47-33-37(26-31-53(47)60)57-64-58(38-25-29-45-41-17-9-13-21-49(41)62(5,6)55(45)34-38)66-59(65-57)67(39-28-32-54-48(35-39)44-20-12-16-24-52(44)61(54,3)4)40-27-30-46-42-18-10-14-22-50(42)63(7,8)56(46)36-40/h9-36H,1-8H3
InChIKeyHDVMYVQZIZJRJT-UHFFFAOYSA-N
XLogP15.90
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.14
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine
CID 171727116
N-dibenzothiophen-1-yl-4-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-6-(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine
CID 171726884
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
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
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869
2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427115
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58273805
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424

Frequently Asked Questions

What is the IUPAC name of N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine (CID 171727139) is N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine is CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)ccc21.
What is the InChIKey of N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is HDVMYVQZIZJRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H52N4/c1-60(2)51-23-15-11-19-43(51)47-33-37(26-31-53(47)60)57-64-58(38-25-29-45-41-17-9-13-21-49(41)62(5,6)55(45)34-38)66-59(65-57)67(39-28-32-54-48(35-39)44-20-12-16-24-52(44)61(54,3)4)40-27-30-46-42-18-10-14-22-50(42)63(7,8)56(46)36-40/h9-36H,1-8H3.
What are the key properties of N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine?
N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 865.14 g/mol, XLogP of 15.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).