N-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine

C60H43N5 — CID 142417757

IUPACN-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3c3ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc3n4-c3ccccc3)cc21
InChIInChI=1S/C60H43N5/c1-60(2)51-30-16-15-29-48(51)49-36-34-47(39-52(49)60)64(45-25-11-5-12-26-45)53-31-18-32-54-56(53)50-35-33-43(38-55(50)65(54)46-27-13-6-14-28-46)42-23-17-24-44(37-42)59-62-57(40-19-7-3-8-20-40)61-58(63-59)41-21-9-4-10-22-41/h3-39H,1-2H3
InChIKeyZDXQQWHIGVGFDG-UHFFFAOYSA-N
MW834.04 g/mol
LogP15.41
Rot. Bonds8

About N-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine

N-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine (PubChem CID 142417757) has the molecular formula C60H43N5 and a molecular weight of 834.04 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine
PubChem CID142417757
Molecular FormulaC60H43N5
Molecular Weight834.04 g/mol
Exact Mass833.35
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3c3ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc3n4-c3ccccc3)cc21
InChIInChI=1S/C60H43N5/c1-60(2)51-30-16-15-29-48(51)49-36-34-47(39-52(49)60)64(45-25-11-5-12-26-45)53-31-18-32-54-56(53)50-35-33-43(38-55(50)65(54)46-27-13-6-14-28-46)42-23-17-24-44(37-42)59-62-57(40-19-7-3-8-20-40)61-58(63-59)41-21-9-4-10-22-41/h3-39H,1-2H3
InChIKeyZDXQQWHIGVGFDG-UHFFFAOYSA-N
XLogP15.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.04
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine
CID 155034701
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 177077839
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 144831028
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 118505806
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 139568029
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009715
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 129085046
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 162198244

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine (CID 142417757) is N-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3c3ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine?
The InChIKey is ZDXQQWHIGVGFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N5/c1-60(2)51-30-16-15-29-48(51)49-36-34-47(39-52(49)60)64(45-25-11-5-12-26-45)53-31-18-32-54-56(53)50-35-33-43(38-55(50)65(54)46-27-13-6-14-28-46)42-23-17-24-44(37-42)59-62-57(40-19-7-3-8-20-40)61-58(63-59)41-21-9-4-10-22-41/h3-39H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine?
N-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine has a molecular weight of 834.04 g/mol, XLogP of 15.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine is sourced from PubChem (CID 142417757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).