10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine

C61H46N4 — CID 126493583

IUPAC10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine
SMILESCc1nc(-c2ccccc2)ccc1N1c2ccc(N(c3ccccc3)c3ccccc3)cc2C(c2ccccc2)(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C61H46N4/c1-45-58(42-39-57(62-45)46-23-9-2-10-24-46)65-59-40-37-53(63(49-29-15-5-16-30-49)50-31-17-6-18-32-50)43-55(59)61(47-25-11-3-12-26-47,48-27-13-4-14-28-48)56-44-54(38-41-60(56)65)64(51-33-19-7-20-34-51)52-35-21-8-22-36-52/h2-44H,1H3
InChIKeyYYFIYEIVKOPEMQ-UHFFFAOYSA-N
MW835.07 g/mol
LogP16.16
Rot. Bonds10

About 10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine

10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine (PubChem CID 126493583) has the molecular formula C61H46N4 and a molecular weight of 835.07 g/mol. Its IUPAC name is 10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine.

Molecular Properties

Compound Name10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine
PubChem CID126493583
Molecular FormulaC61H46N4
Molecular Weight835.07 g/mol
Exact Mass834.37
IUPAC Name10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine
SMILESCc1nc(-c2ccccc2)ccc1N1c2ccc(N(c3ccccc3)c3ccccc3)cc2C(c2ccccc2)(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C61H46N4/c1-45-58(42-39-57(62-45)46-23-9-2-10-24-46)65-59-40-37-53(63(49-29-15-5-16-30-49)50-31-17-6-18-32-50)43-55(59)61(47-25-11-3-12-26-47,48-27-13-4-14-28-48)56-44-54(38-41-60(56)65)64(51-33-19-7-20-34-51)52-35-21-8-22-36-52/h2-44H,1H3
InChIKeyYYFIYEIVKOPEMQ-UHFFFAOYSA-N
XLogP16.16
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.07
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,17,24,24-pentakis-phenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine
CID 144635164
9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine
CID 129089141
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-N-(9,9-diphenylfluoren-2-yl)-4-N-(4,6-diphenylpyrimidin-2-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157021353
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
9,9,10-triphenyl-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)acridin-3-amine
CID 121259026
N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178
6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine
CID 170091409
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 71007094
17-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-N,N-diphenyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine
CID 144635165

Frequently Asked Questions

What is the IUPAC name of 10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine?
The IUPAC name of 10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine (CID 126493583) is 10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine.
What is the SMILES notation for 10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine?
The canonical SMILES for 10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine is Cc1nc(-c2ccccc2)ccc1N1c2ccc(N(c3ccccc3)c3ccccc3)cc2C(c2ccccc2)(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine?
The InChIKey is YYFIYEIVKOPEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H46N4/c1-45-58(42-39-57(62-45)46-23-9-2-10-24-46)65-59-40-37-53(63(49-29-15-5-16-30-49)50-31-17-6-18-32-50)43-55(59)61(47-25-11-3-12-26-47,48-27-13-4-14-28-48)56-44-54(38-41-60(56)65)64(51-33-19-7-20-34-51)52-35-21-8-22-36-52/h2-44H,1H3.
What are the key properties of 10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine?
10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine has a molecular weight of 835.07 g/mol, XLogP of 16.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine is sourced from PubChem (CID 126493583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).