1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

C99H69N3 — CID 132601190

IUPAC1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C99H69N3/c1-10-34-70(35-11-1)97(71-36-12-2-13-37-71)91-55-31-28-52-85(91)88-61-58-79(67-94(88)97)100(76-46-22-7-23-47-76)82-64-83(101(77-48-24-8-25-49-77)80-59-62-89-86-53-29-32-56-92(86)98(95(89)68-80,72-38-14-3-15-39-72)73-40-16-4-17-41-73)66-84(65-82)102(78-50-26-9-27-51-78)81-60-63-90-87-54-30-33-57-93(87)99(96(90)69-81,74-42-18-5-19-43-74)75-44-20-6-21-45-75/h1-69H
InChIKeyHRKBTFODTRHALD-UHFFFAOYSA-N
MW1300.66 g/mol
LogP25.19
Rot. Bonds15

About 1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (PubChem CID 132601190) has the molecular formula C99H69N3 and a molecular weight of 1300.66 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
PubChem CID132601190
Molecular FormulaC99H69N3
Molecular Weight1300.66 g/mol
Exact Mass1299.55
IUPAC Name1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2cc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C99H69N3/c1-10-34-70(35-11-1)97(71-36-12-2-13-37-71)91-55-31-28-52-85(91)88-61-58-79(67-94(88)97)100(76-46-22-7-23-47-76)82-64-83(101(77-48-24-8-25-49-77)80-59-62-89-86-53-29-32-56-92(86)98(95(89)68-80,72-38-14-3-15-39-72)73-40-16-4-17-41-73)66-84(65-82)102(78-50-26-9-27-51-78)81-60-63-90-87-54-30-33-57-93(87)99(96(90)69-81,74-42-18-5-19-43-74)75-44-20-6-21-45-75/h1-69H
InChIKeyHRKBTFODTRHALD-UHFFFAOYSA-N
XLogP25.19
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001300.66
LogP ≤ 525.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 88867924
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CID 86198899
N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
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
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N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
1-N,3-N-diphenyl-1-N,3-N-bis[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 138519596
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
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
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298464

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The IUPAC name of 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) is 1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The canonical SMILES for 1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is c1ccc(N(c2cc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The InChIKey is HRKBTFODTRHALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H69N3/c1-10-34-70(35-11-1)97(71-36-12-2-13-37-71)91-55-31-28-52-85(91)88-61-58-79(67-94(88)97)100(76-46-22-7-23-47-76)82-64-83(101(77-48-24-8-25-49-77)80-59-62-89-86-53-29-32-56-92(86)98(95(89)68-80,72-38-14-3-15-39-72)73-40-16-4-17-41-73)66-84(65-82)102(78-50-26-9-27-51-78)81-60-63-90-87-54-30-33-57-93(87)99(96(90)69-81,74-42-18-5-19-43-74)75-44-20-6-21-45-75/h1-69H.
What are the key properties of 1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine has a molecular weight of 1300.66 g/mol, XLogP of 25.19, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 132601190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).