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

C45H36N4 — CID 171727116

IUPACN,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)cc21
InChIInChI=1S/C45H36N4/c1-44(2)37-21-13-11-19-33(37)35-25-23-30(27-39(35)44)42-46-41(29-15-7-5-8-16-29)47-43(48-42)49(31-17-9-6-10-18-31)32-24-26-36-34-20-12-14-22-38(34)45(3,4)40(36)28-32/h5-28H,1-4H3
InChIKeyLFBABGKKCJGAIG-UHFFFAOYSA-N
MW632.81 g/mol
LogP11.29
Rot. Bonds5

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

N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine (PubChem CID 171727116) has the molecular formula C45H36N4 and a molecular weight of 632.81 g/mol. Its IUPAC name is N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine
PubChem CID171727116
Molecular FormulaC45H36N4
Molecular Weight632.81 g/mol
Exact Mass632.29
IUPAC NameN,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)cc21
InChIInChI=1S/C45H36N4/c1-44(2)37-21-13-11-19-33(37)35-25-23-30(27-39(35)44)42-46-41(29-15-7-5-8-16-29)47-43(48-42)49(31-17-9-6-10-18-31)32-24-26-36-34-20-12-14-22-38(34)45(3,4)40(36)28-32/h5-28H,1-4H3
InChIKeyLFBABGKKCJGAIG-UHFFFAOYSA-N
XLogP11.29
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazin-2-amine
CID 171727139
7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N-phenylaniline;N-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160636575
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-phenylphenyl)-1,3,5-triazine
CID 58233424
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2,4,6-tris(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
CID 161179044
7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58233363
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399

Frequently Asked Questions

What is the IUPAC name of N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine?
The IUPAC name of N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine (CID 171727116) is N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)cc21.
What is the InChIKey of N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine?
The InChIKey is LFBABGKKCJGAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N4/c1-44(2)37-21-13-11-19-33(37)35-25-23-30(27-39(35)44)42-46-41(29-15-7-5-8-16-29)47-43(48-42)49(31-17-9-6-10-18-31)32-24-26-36-34-20-12-14-22-38(34)45(3,4)40(36)28-32/h5-28H,1-4H3.
What are the key properties of N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine?
N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine has a molecular weight of 632.81 g/mol, XLogP of 11.29, 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-diphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).