3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine

C54H40N4 — CID 90061335

IUPAC3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc1
InChIInChI=1S/C54H40N4/c1-6-21-41(22-7-1)55(42-23-8-2-9-24-42)48-38-49(56(43-25-10-3-11-26-43)44-27-12-4-13-28-44)40-50(39-48)57(45-29-14-5-15-30-45)46-31-20-32-47(37-46)58-53-35-18-16-33-51(53)52-34-17-19-36-54(52)58/h1-40H
InChIKeyHGOZJVWSFHYLLM-UHFFFAOYSA-N
MW744.94 g/mol
LogP15.19
Rot. Bonds10

About 3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine

3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine (PubChem CID 90061335) has the molecular formula C54H40N4 and a molecular weight of 744.94 g/mol. Its IUPAC name is 3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
PubChem CID90061335
Molecular FormulaC54H40N4
Molecular Weight744.94 g/mol
Exact Mass744.33
IUPAC Name3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc1
InChIInChI=1S/C54H40N4/c1-6-21-41(22-7-1)55(42-23-8-2-9-24-42)48-38-49(56(43-25-10-3-11-26-43)44-27-12-4-13-28-44)40-50(39-48)57(45-29-14-5-15-30-45)46-31-20-32-47(37-46)58-53-35-18-16-33-51(53)52-34-17-19-36-54(52)58/h1-40H
InChIKeyHGOZJVWSFHYLLM-UHFFFAOYSA-N
XLogP15.19
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.94
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 170132805
3-carbazol-9-yl-N-phenyl-N-(3-pyrido[2,3-b]indol-9-ylphenyl)aniline
CID 140680686
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275807
5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 58827958
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline
CID 118504606
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CID 121312804

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine?
The IUPAC name of 3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine (CID 90061335) is 3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine.
What is the SMILES notation for 3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine?
The canonical SMILES for 3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc1.
What is the InChIKey of 3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine?
The InChIKey is HGOZJVWSFHYLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N4/c1-6-21-41(22-7-1)55(42-23-8-2-9-24-42)48-38-49(56(43-25-10-3-11-26-43)44-27-12-4-13-28-44)40-50(39-48)57(45-29-14-5-15-30-45)46-31-20-32-47(37-46)58-53-35-18-16-33-51(53)52-34-17-19-36-54(52)58/h1-40H.
What are the key properties of 3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine?
3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine has a molecular weight of 744.94 g/mol, XLogP of 15.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine is sourced from PubChem (CID 90061335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).