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

C45H36N4 — CID 171727217

IUPACN,4-bis(9,9-dimethylfluoren-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(N(c4ccccc4)c4cccc5c4C(C)(C)c4ccccc4-5)n3)c21
InChIInChI=1S/C45H36N4/c1-44(2)36-26-13-11-21-31(36)33-23-15-25-35(39(33)44)42-46-41(29-17-7-5-8-18-29)47-43(48-42)49(30-19-9-6-10-20-30)38-28-16-24-34-32-22-12-14-27-37(32)45(3,4)40(34)38/h5-28H,1-4H3
InChIKeyRZNZESKLJMPWJN-UHFFFAOYSA-N
MW632.81 g/mol
LogP11.29
Rot. Bonds5

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

N,4-bis(9,9-dimethylfluoren-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine (PubChem CID 171727217) has the molecular formula C45H36N4 and a molecular weight of 632.81 g/mol. Its IUPAC name is N,4-bis(9,9-dimethylfluoren-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,4-bis(9,9-dimethylfluoren-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine
PubChem CID171727217
Molecular FormulaC45H36N4
Molecular Weight632.81 g/mol
Exact Mass632.29
IUPAC NameN,4-bis(9,9-dimethylfluoren-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(N(c4ccccc4)c4cccc5c4C(C)(C)c4ccccc4-5)n3)c21
InChIInChI=1S/C45H36N4/c1-44(2)36-26-13-11-21-31(36)33-23-15-25-35(39(33)44)42-46-41(29-17-7-5-8-18-29)47-43(48-42)49(30-19-9-6-10-20-30)38-28-16-24-34-32-22-12-14-27-37(32)45(3,4)40(34)38/h5-28H,1-4H3
InChIKeyRZNZESKLJMPWJN-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-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 142427405
N,4-bis(9,9-dimethylfluoren-2-yl)-N,6-diphenyl-1,3,5-triazin-2-amine
CID 171727116
N-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095178
2-[3-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150867
9,9-dimethyl-N-naphthalen-1-yl-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(1,2,2-triphenylethenyl)phenyl]fluoren-1-amine
CID 159836927
3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline
CID 154972967
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
N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine
CID 163943699
N-[2-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,4,6-triphenyl-1,3,5-triazin-2-amine
CID 90278178
N-(2,6-dimethyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285801
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 167285354
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167324472

Frequently Asked Questions

What is the IUPAC name of N,4-bis(9,9-dimethylfluoren-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine?
The IUPAC name of N,4-bis(9,9-dimethylfluoren-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine (CID 171727217) is N,4-bis(9,9-dimethylfluoren-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N,4-bis(9,9-dimethylfluoren-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N,4-bis(9,9-dimethylfluoren-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(N(c4ccccc4)c4cccc5c4C(C)(C)c4ccccc4-5)n3)c21.
What is the InChIKey of N,4-bis(9,9-dimethylfluoren-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine?
The InChIKey is RZNZESKLJMPWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N4/c1-44(2)36-26-13-11-21-31(36)33-23-15-25-35(39(33)44)42-46-41(29-17-7-5-8-18-29)47-43(48-42)49(30-19-9-6-10-20-30)38-28-16-24-34-32-22-12-14-27-37(32)45(3,4)40(34)38/h5-28H,1-4H3.
What are the key properties of N,4-bis(9,9-dimethylfluoren-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine?
N,4-bis(9,9-dimethylfluoren-1-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-1-yl)-N,6-diphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).