4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine

C59H42N4 — CID 157021353

IUPAC4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1
InChIInChI=1S/C59H42N4/c1-7-21-43(22-8-1)56-42-57(44-23-9-2-10-24-44)61-58(60-56)63(50-37-35-49(36-38-50)62(47-29-15-5-16-30-47)48-31-17-6-18-32-48)51-39-40-53-52-33-19-20-34-54(52)59(55(53)41-51,45-25-11-3-12-26-45)46-27-13-4-14-28-46/h1-42H
InChIKeyIZRKQJZOVGIGNQ-UHFFFAOYSA-N
MW807.01 g/mol
LogP15.11
Rot. Bonds10

About 4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine

4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 157021353) has the molecular formula C59H42N4 and a molecular weight of 807.01 g/mol. Its IUPAC name is 4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
PubChem CID157021353
Molecular FormulaC59H42N4
Molecular Weight807.01 g/mol
Exact Mass806.34
IUPAC Name4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1
InChIInChI=1S/C59H42N4/c1-7-21-43(22-8-1)56-42-57(44-23-9-2-10-24-44)61-58(60-56)63(50-37-35-49(36-38-50)62(47-29-15-5-16-30-47)48-31-17-6-18-32-48)51-39-40-53-52-33-19-20-34-54(52)59(55(53)41-51,45-25-11-3-12-26-45)46-27-13-4-14-28-46/h1-42H
InChIKeyIZRKQJZOVGIGNQ-UHFFFAOYSA-N
XLogP15.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
4-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]-N,N-diphenylaniline;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylfluoren-9-yl]-N,N-diphenylaniline;N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161181165
4-[bis(9,9-diphenylfluoren-2-yl)amino]benzoic acid
CID 139978935
6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033580
[4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]boronic acid
CID 123393437
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737

Frequently Asked Questions

What is the IUPAC name of 4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine (CID 157021353) is 4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine is c1ccc(-c2cc(-c3ccccc3)nc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)n2)cc1.
What is the InChIKey of 4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine?
The InChIKey is IZRKQJZOVGIGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N4/c1-7-21-43(22-8-1)56-42-57(44-23-9-2-10-24-44)61-58(60-56)63(50-37-35-49(36-38-50)62(47-29-15-5-16-30-47)48-31-17-6-18-32-48)51-39-40-53-52-33-19-20-34-54(52)59(55(53)41-51,45-25-11-3-12-26-45)46-27-13-4-14-28-46/h1-42H.
What are the key properties of 4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine?
4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine has a molecular weight of 807.01 g/mol, XLogP of 15.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 157021353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).